data_2rqb_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 2rqb _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 28.1 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.269 -0.641 . . . . 74.43 109.269 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -106.65 126.91 29.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.02 109.286 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.99 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 75.03 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.8 t -83.9 -25.83 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.41 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 -23.6 22.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 72.33 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.522 HG23 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -99.66 156.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.34 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.506 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.91 160.0 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 62.51 110.391 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.85 139.94 34.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 72.13 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.47 ' CD1' HG23 ' A' ' 990' ' ' VAL . 1.1 mt -134.18 175.89 9.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 62.34 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -91.33 121.7 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.948 -1.024 . . . . 75.33 110.949 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -52.61 -59.87 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 74.14 109.297 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -45.86 -58.41 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.44 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.14 -101.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 74.53 108.27 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.56 42.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 75.15 109.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.73 134.37 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.15 109.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.506 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.98 106.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 72.03 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -86.15 -35.52 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 75.42 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.12 168.96 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 72.41 108.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 5.1 m -108.7 158.45 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 71.31 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.55 88.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 73.03 110.958 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.3 pt-20 -65.29 -24.49 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 72.15 110.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -93.06 30.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.52 109.29 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.37 152.34 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 73.45 109.355 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -118.95 156.65 29.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 71.42 109.613 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 72.23 109.269 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.338 -0.616 . . . . 73.44 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 4.6 t-20 -97.49 96.74 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.13 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 57.1 mmm -83.27 46.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.32 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 935' ' ' PHE . 0.4 OUTLIER -106.29 121.27 45.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 74.13 110.422 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 73.41 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.97 -29.09 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 72.21 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.448 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 70.6 t80 -66.4 -21.55 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.42 110.965 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.94 -15.23 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.35 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.17 6.06 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 75.34 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.52 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 7.5 mt -112.27 -13.36 13.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.31 109.269 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -126.64 150.39 48.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.35 111.002 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.65 137.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 71.44 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.69 134.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 75.24 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.2 OUTLIER -108.42 142.08 39.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 72.34 110.309 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -66.18 104.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.11 110.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.7 t30 -155.26 131.24 10.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.12 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -96.59 -8.69 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 73.04 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.37 -13.9 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 75.13 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.469 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.7 mm? -104.13 -76.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.42 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 75.22 110.347 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.477 HE22 ' NE2' ' A' ' 948' ' ' GLN . 35.8 tp60 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.295 -0.261 . . . . 72.03 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.521 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.95 156.63 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 72.35 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.69 -27.82 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.42 109.27 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.43 -137.88 5.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 73.03 110.995 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.04 122.19 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 72.11 110.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.563 HG21 ' CD1' ' A' ' 939' ' ' TYR . 5.6 pt -78.44 136.39 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.25 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.475 ' CD1' ' HD3' ' A' ' 942' ' ' ARG . 30.7 pt -138.12 144.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.33 109.332 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -62.88 -174.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 72.31 108.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.31 -51.53 69.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 75.53 109.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.3 m -56.11 -40.32 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.41 108.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 120.12 35.69 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 64.45 111.033 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -94.28 116.82 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 75.03 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.44 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 65.41 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -71.76 -28.72 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.52 107.99 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 164.59 -117.45 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 74.23 110.995 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.97 156.06 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 72.34 110.417 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.45 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 17.3 tpp -101.83 97.51 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 72.42 111.012 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 23.6 mtp -82.09 145.4 30.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.05 110.99 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 2.7 t -126.62 144.96 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.23 109.281 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.1 t-80 -133.86 98.61 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 73.22 109.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 1.8 mttp 60.75 20.16 10.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 63.14 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.58 8.52 28.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 73.21 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 13.4 tp -79.41 164.85 23.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 72.51 109.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -122.54 106.83 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 72.23 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.73 96.64 16.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.31 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.446 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -75.01 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 65.55 111.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.29 105.61 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 75.31 108.34 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.98 166.01 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 73.22 109.281 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.412 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.8 mttt -129.53 122.2 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.32 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.9 mt -58.9 -19.31 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.23 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.85 -6.52 42.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 73.23 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.4 m-20 -124.21 -1.12 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 72.34 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.8 m-85 -121.63 -176.54 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 72.34 111.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.2 t -138.54 160.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 63.14 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.71 119.8 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.4 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 906' ' ' LEU . 2.3 t -113.9 122.41 67.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.22 109.26 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.522 ' CD1' HG23 ' A' ' 903' ' ' ILE . 59.2 m-85 -84.75 135.88 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 75.04 109.304 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.32 -0.622 . . . . 75.11 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 131.84 53.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 74.34 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.98 111.37 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.54 110.289 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 94.9 m-85 -102.88 -170.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.51 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.468 ' CA ' HG22 ' A' ' 984' ' ' ILE . 48.9 pttt -128.01 -46.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.53 109.354 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 35.7 mttt -120.7 156.03 32.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 75.15 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 984' ' ' ILE . 26.3 m95 -67.6 -24.79 65.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.22 108.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.0 p -62.78 -29.8 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.34 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.98 -21.39 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.31 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.24 113.16 13.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.22 109.35 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.02 -1.51 11.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 73.4 110.977 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.2 132.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.24 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.9 m -76.37 137.68 39.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 75.02 110.39 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.23 165.52 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 74.33 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 75.44 110.965 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.279 -0.637 . . . . 71.2 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -126.56 122.7 23.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 73.1 109.273 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 63.41 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 6.9 t -84.57 -23.91 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.12 109.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.87 -26.42 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 75.03 109.316 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.6 OUTLIER -96.26 150.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 71.33 109.329 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.51 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.65 160.85 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.34 110.389 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.6 m-30 -100.61 141.89 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 63.32 110.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.42 ' CD1' HG23 ' A' ' 990' ' ' VAL . 1.1 mt -135.92 175.27 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.34 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -90.56 121.53 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.012 -0.995 . . . . 72.11 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -51.96 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.33 109.31 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.23 -57.9 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 72.43 109.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -99.9 -101.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 65.42 108.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.5 t 155.83 42.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 53.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.05 132.68 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.33 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.51 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.68 107.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 71.35 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -86.17 -35.11 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 55.44 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . 0.445 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.41 170.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 73.14 108.332 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 10.8 t -100.62 163.3 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 72.21 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . 0.531 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -69.64 -29.18 71.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 65.45 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 14.4 pt-20 -83.77 -19.59 34.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 73.21 110.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.32 22.6 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.01 109.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -120.25 156.85 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 72.5 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -117.19 157.86 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 74.13 109.616 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 75.24 109.28 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.296 -0.631 . . . . 73.45 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -96.75 95.94 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 72.53 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.1 mmm -84.19 46.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.43 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.445 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -104.63 122.47 43.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 75.1 110.372 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 73.31 111.013 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.47 -28.55 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 73.43 110.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -69.0 -18.75 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 74.51 110.988 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.22 -17.61 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 74.13 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.93 4.48 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 61.34 110.321 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.554 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.1 mt -108.58 -11.85 15.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 73.45 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -126.95 149.95 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.03 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -125.85 137.54 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.54 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.32 136.99 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 73.52 109.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -113.69 138.93 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 70.31 110.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.3 104.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 75.01 110.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.503 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.7 t30 -157.46 117.33 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 74.34 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -86.7 -9.16 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.51 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.87 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.32 109.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -105.91 -59.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.01 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.501 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 73.42 110.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 973' ' ' VAL . 37.3 tp60 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.295 -0.261 . . . . 74.04 110.295 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -112.06 158.33 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 74.24 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.76 -25.46 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.5 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.29 -137.09 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 74.44 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.63 131.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 75.41 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.7 pt -86.41 131.96 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 74.51 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 24.6 pt -133.98 142.85 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 75.41 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.0 OUTLIER -61.9 -174.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 55.24 108.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.93 -51.58 69.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 73.25 109.327 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.76 -39.24 70.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 75.32 108.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.17 37.33 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 74.21 111.008 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -96.72 118.21 32.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 73.14 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -51.03 99.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 75.43 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.554 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 6.3 m0 -72.25 -31.1 65.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 75.3 108.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.99 -123.45 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 63.42 111.015 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.3 149.58 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 74.54 110.464 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' MET . . . . . . . . . . . . . 24.8 tpp -97.25 93.22 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.14 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 25.6 mtp -81.92 147.89 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 74.52 110.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 4.2 t -123.77 145.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.2 109.278 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.519 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -134.18 100.41 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.12 109.539 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.519 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 18.8 mttm 61.02 20.94 11.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.21 109.287 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.7 37.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 64.23 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.496 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 8.4 tp -79.48 166.38 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 75.41 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -122.57 100.89 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 70.15 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.49 96.5 41.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.32 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 71.42 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 105.13 17.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 71.44 108.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -86.03 167.45 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 74.21 109.285 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 20.6 mttt -128.38 122.54 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 75.24 109.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.566 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.7 mt -60.22 -17.91 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.5 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.47 -11.68 60.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.5 110.265 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -118.48 -6.28 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.01 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 24.4 m-85 -114.83 -177.87 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 74.42 111.02 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.8 t -140.46 156.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.53 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.12 119.47 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 72.5 109.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 906' ' ' LEU . 3.0 t -115.71 124.26 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.21 109.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.485 ' CD1' HG22 ' A' ' 903' ' ' ILE . 60.9 m-85 -84.83 136.5 33.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 70.14 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 72.11 109.316 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.309 -0.626 . . . . 71.44 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.52 138.66 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.43 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -119.31 112.78 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 74.13 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 97.1 m-85 -105.46 -170.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 74.41 111.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.504 ' CA ' HG21 ' A' ' 984' ' ' ILE . 21.2 pttt -129.34 -45.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.45 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.477 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 21.9 mmtp -117.14 150.31 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 75.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.566 ' CE3' HG13 ' A' ' 984' ' ' ILE . 43.3 m95 -64.88 -36.96 86.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.33 108.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1004 ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 0.7 OUTLIER -49.58 -28.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 75.01 109.323 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.23 110.349 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' 1010 ' ' PHE . 6.7 tp -50.24 110.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 72.5 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.428 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 0.1 9.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 73.4 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -92.7 134.3 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 74.32 109.297 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -70.16 150.79 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 63.41 110.377 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' 1006 ' ' LEU . 6.1 m-85 -126.3 165.61 26.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 61.2 111.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 71.14 111.014 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 6.5 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 73.45 109.326 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.85 127.31 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 61.43 109.317 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.03 0.27 9.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.517 1.798 . . . . 70.23 111.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 11.7 t -84.09 -27.28 28.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.34 109.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -23.34 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 73.23 109.335 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.81 154.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 63.13 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.521 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.36 159.07 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 71.14 110.422 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.8 m-30 -100.21 138.32 37.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 74.41 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.47 ' CD1' HG23 ' A' ' 990' ' ' VAL . 1.0 OUTLIER -132.47 177.34 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 74.44 109.352 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -90.71 125.26 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.993 -1.003 . . . . 74.45 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -55.33 -59.4 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 70.43 109.306 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -46.35 -57.96 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.3 109.331 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.1 m -98.87 -101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 75.25 108.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.6 OUTLIER 154.08 42.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 72.53 110.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 136.99 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 73.53 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.521 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -65.88 106.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.14 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.434 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -88.26 -34.93 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 70.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.7 p -176.31 161.52 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 64.44 108.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.58 158.44 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 72.24 109.984 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.46 -46.85 57.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 55.32 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -60.89 -28.97 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 73.02 110.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -93.98 31.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 64.11 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.56 145.0 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 73.54 109.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -109.12 175.45 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.21 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 71.04 109.325 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.269 -0.641 . . . . 61.14 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.407 ' OD1' ' OG1' ' A' ' 932' ' ' THR . 62.7 t30 -102.57 96.02 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 71.12 109.315 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.8 mtt -82.5 47.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 75.13 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 930' ' ' ASN . 0.6 OUTLIER -107.77 127.01 28.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.32 110.412 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 74.54 111.027 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.37 -32.79 62.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.34 110.311 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.527 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 53.7 t80 -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.51 110.965 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.604 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.7 ptpt -63.83 -16.12 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 74.35 109.28 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.1 3.24 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 72.01 110.258 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.532 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -112.27 -18.2 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 75.14 109.284 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -123.56 149.64 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 73.33 110.966 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.09 137.13 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.01 109.339 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.68 131.36 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 74.41 109.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 121.22 43.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.33 110.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -46.56 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.43 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.5 t30 -158.14 129.56 6.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.43 109.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -96.5 -7.27 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.44 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.23 -13.15 47.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 43.01 109.284 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.87 -58.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 73.3 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.53 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 73.54 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 973' ' ' VAL . 9.6 tm0? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 73.43 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.53 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -103.96 159.45 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 72.54 109.259 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -101.99 -25.88 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 72.4 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.72 -137.79 5.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 64.15 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -125.61 129.23 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 72.51 110.246 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 939' ' ' TYR . 20.5 pt -89.08 130.41 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 72.1 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.447 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.6 pt -130.82 149.35 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 73.21 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.65 -174.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.21 108.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.6 mmmm -61.32 -51.74 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 65.32 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.0 m -55.34 -36.01 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 53.44 108.292 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.13 35.57 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 74.22 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -92.94 123.51 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 55.52 110.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -54.43 95.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 70.22 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.7 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -69.8 -42.56 73.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.54 107.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . 0.465 ' CA ' ' HD3' ' A' ' 983' ' ' LYS . . . 174.34 -123.68 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 73.43 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 2.9 p -146.06 170.07 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 74.32 110.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.436 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 27.0 tpp -116.08 96.75 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.22 110.998 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 7.7 mtp -82.04 154.42 25.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 74.33 110.988 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 955' ' ' GLN . 16.4 t -126.35 148.6 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.12 109.278 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -139.63 102.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 74.02 109.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 7.6 mttp 61.54 24.01 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 75.21 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.21 2.35 55.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 74.33 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.434 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 1.6 tt -79.41 166.93 21.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 75.45 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.418 ' N ' HD23 ' A' ' 977' ' ' LEU . 99.0 m-20 -116.4 118.0 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.14 109.328 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.54 96.46 13.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 72.11 109.338 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.423 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.01 116.63 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 73.52 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.43 114.59 26.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 74.41 108.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.3 mp -100.6 146.07 27.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 72.5 109.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -108.75 125.26 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.31 109.28 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.566 HD11 ' CE3' ' A' 1003 ' ' TRP . 1.5 mt -58.76 -25.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.43 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.3 ptp180 -67.05 -7.54 23.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.35 110.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.8 m-20 -120.16 -3.37 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.22 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.7 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.6 m-85 -122.84 -175.74 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.25 111.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.3 t -139.89 160.09 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 71.52 109.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.66 123.23 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 71.52 109.273 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 906' ' ' LEU . 2.3 t -117.43 119.34 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.44 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.38 135.2 36.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 72.14 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 74.45 109.307 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.337 -0.616 . . . . 72.42 109.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.0 129.0 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 74.23 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -106.92 109.64 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.42 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.417 ' CB ' HG22 ' A' ' 984' ' ' ILE . 94.7 m-85 -101.41 -172.84 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 71.03 111.041 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.476 ' CA ' HG23 ' A' ' 984' ' ' ILE . 25.7 pttt -123.86 -49.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 75.21 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 31.4 mttt -118.7 160.69 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.32 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.566 ' CE3' HD11 ' A' ' 984' ' ' ILE . 37.2 m95 -72.33 -22.41 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 72.14 108.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.0 p -63.75 -21.03 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.41 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -77.99 -28.47 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.44 110.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.2 111.32 4.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.43 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.05 -0.19 9.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 73.23 110.968 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.38 137.02 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 75.44 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 3.4 t -72.0 158.56 35.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 63.12 110.379 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -139.91 165.7 29.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.51 110.983 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 75.44 110.989 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 75.21 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -112.1 127.61 26.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 70.14 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.428 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -75.01 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 64.02 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.9 -26.57 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 62.44 109.987 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.4 -22.98 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 75.4 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -102.22 151.96 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 75.14 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.512 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.31 161.63 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.43 110.406 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.83 141.4 33.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 70.21 111.027 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -135.6 175.85 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 73.13 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.8 t -91.0 122.09 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.966 -1.015 . . . . 74.45 110.931 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -52.04 -60.53 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 75.41 109.284 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -45.83 -59.95 2.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.23 109.277 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.8 m -97.41 -100.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.43 108.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.7 m 153.93 42.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 72.1 109.99 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.32 132.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 62.45 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.512 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -63.23 108.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 71.35 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -88.46 -34.68 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 53.31 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.2 p -178.65 162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 74.23 108.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.31 157.09 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.4 109.985 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -51.36 -46.52 52.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 64.42 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.406 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.7 pp20? -63.26 -27.72 69.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 61.24 110.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.85 31.28 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 63.02 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.524 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.45 156.59 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 62.32 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -122.48 162.48 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.54 109.623 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 73.2 109.316 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.343 -0.614 . . . . 75.21 109.343 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.04 95.84 6.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 74.02 109.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.9 mmt -84.51 46.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 74.3 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.71 123.85 38.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 64.24 110.397 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 72.53 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.16 -34.28 71.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 64.11 110.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.425 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 70.0 t80 -59.97 -20.3 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 71.52 111.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -65.02 -16.44 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.11 6.03 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.14 110.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.47 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.5 mt -110.75 -17.16 13.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 74.52 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -125.37 151.51 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.33 110.982 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.96 137.96 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 71.02 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 960' ' ' ILE . 2.2 t -104.53 137.27 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.31 109.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -113.98 120.91 42.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 75.42 110.306 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -47.91 104.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 65.14 110.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -153.9 129.64 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.2 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -8.17 31.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 73.31 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.4 35.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 72.15 109.312 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.32 -58.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 75.03 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.535 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.44 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 6.7 tm0? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.332 -0.247 . . . . 74.41 110.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -109.83 157.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 73.1 109.33 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -106.01 -23.11 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 73.12 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 165.71 -153.9 24.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.167 . . . . 74.53 110.965 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -119.72 122.11 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.31 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.551 HG22 ' CE1' ' A' ' 939' ' ' TYR . 14.7 pt -79.71 134.28 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 64.35 109.26 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.459 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 27.7 pt -136.48 148.32 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.01 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.25 -175.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.43 108.26 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.41 -51.84 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.32 109.255 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 6.9 m -55.02 -38.41 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.21 108.305 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.42 33.44 1.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.554 1.159 . . . . 73.11 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -92.65 123.49 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 74.44 110.298 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -52.78 101.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.14 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 4.9 m0 -76.78 -36.98 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 75.33 108.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 174.29 -127.74 1.36 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 72.03 110.991 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' THR . . . . . 0.4 HG21 ' NZ ' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -154.22 138.68 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 72.03 110.412 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.451 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 1.3 ttm -85.79 105.95 16.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.22 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 9.7 mtm -81.85 169.37 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 75.41 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 955' ' ' GLN . 21.2 t -140.16 136.2 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 75.05 109.338 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.477 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -129.91 100.19 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 71.15 109.612 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.9 mttp 60.66 18.75 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 65.04 109.269 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.35 27.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 74.42 111.011 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 14.6 tp -85.47 166.68 16.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 75.34 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -118.83 113.39 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.14 109.275 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.24 102.26 7.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 75.41 109.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 122.73 7.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 73.4 110.972 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.81 100.69 10.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 74.21 108.274 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -81.51 165.38 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.34 109.289 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 40.2 mttt -128.69 122.37 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 75.15 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -59.11 -22.09 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.04 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.478 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 2.9 ptt180 -70.43 -5.93 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 72.44 110.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.9 m-20 -124.56 -0.01 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.34 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.2 m-85 -122.9 -176.19 3.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 74.34 110.971 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 10.6 t -140.92 157.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.52 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.41 122.51 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 75.43 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 906' ' ' LEU . 2.1 t -114.66 120.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.21 109.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.409 ' CD1' HG23 ' A' ' 903' ' ' ILE . 30.7 m-85 -82.61 134.64 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 73.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.42 109.299 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.248 -0.649 . . . . 73.52 109.248 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' 1000 ' ' TYR . 4.3 mptt -104.62 129.04 52.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.24 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.87 108.25 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 72.12 110.296 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.6 m-85 -101.26 -171.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 75.33 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.49 ' CA ' HG21 ' A' ' 984' ' ' ILE . 47.3 pttt -129.7 -45.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 72.52 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 17.5 mmtp -117.41 149.65 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 74.43 109.298 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 984' ' ' ILE . 42.7 m95 -63.89 -38.98 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 75.31 108.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1004 ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 0.6 OUTLIER -48.03 -25.86 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.25 109.278 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.81 -40.08 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 72.35 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.491 HD22 ' CZ ' ' A' 1010 ' ' PHE . 7.2 tp -50.49 107.08 0.73 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.23 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.453 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.01 1.04 8.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 73.34 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.36 135.62 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.12 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.0 t -69.82 144.76 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 73.04 110.411 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.491 ' CZ ' HD22 ' A' 1006 ' ' LEU . 5.4 m-85 -124.82 165.83 23.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 70.22 111.03 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 71.25 110.986 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.272 -0.64 . . . . 75.21 109.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -119.58 126.0 27.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.53 109.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.409 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 63.44 110.968 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.69 -26.02 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 65.15 109.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.4 OUTLIER -86.66 -24.98 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.22 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -100.11 152.54 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.32 109.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.522 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.36 159.79 42.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 74.12 110.447 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.68 139.06 36.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.14 111.028 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.447 ' CD1' HG22 ' A' ' 990' ' ' VAL . 0.9 OUTLIER -133.83 177.26 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.21 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.4 t -91.93 122.47 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.971 -1.013 . . . . 73.32 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.4 109.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.82 -57.83 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 35.14 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.3 -100.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 70.13 108.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.9 OUTLIER 152.98 42.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 52.31 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.49 134.58 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 72.54 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.522 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -64.23 106.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 72.24 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.29 -35.08 18.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.15 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . 0.492 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.1 m -178.74 160.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 74.52 108.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.421 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.3 t -105.67 162.19 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.12 110.007 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -57.73 -45.97 92.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 74.45 111.047 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.41 -17.41 62.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 74.22 110.356 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -105.34 28.77 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.41 109.299 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.07 156.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 64.51 109.311 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -119.75 172.08 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.4 109.605 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.33 109.315 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.266 -0.642 . . . . 74.4 109.266 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -94.44 95.8 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 75.23 109.282 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 14.2 mtp -83.92 47.16 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.01 111.015 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.492 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 124.12 36.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 75.33 110.433 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.6 Cg_endo -74.94 -44.84 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 72.13 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -33.85 65.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 73.23 110.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 87.2 t80 -62.43 -20.64 64.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 71.44 110.938 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.1 ptpt -63.95 -17.78 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.54 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.04 5.09 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 73.12 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.601 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.5 mt -111.15 -10.25 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 71.04 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -130.16 151.02 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.21 111.041 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . 0.564 ' CD1' ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.33 140.01 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 74.14 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.14 124.0 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 75.22 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -101.34 123.08 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.44 110.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -46.55 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 73.33 110.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.5 t30 -156.9 116.43 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 72.33 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 -8.53 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.33 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.82 -13.95 39.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 73.12 109.321 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.495 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -104.41 -57.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 75.14 109.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.502 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.1 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 973' ' ' VAL . 29.5 tp60 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.333 -0.247 . . . . 65.21 110.333 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.502 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -114.93 158.05 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 74.05 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.56 -25.51 13.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.33 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.17 -141.4 7.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 62.12 111.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.36 135.36 55.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 74.3 110.297 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.3 pt -93.75 128.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 63.23 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 19.4 pt -130.95 140.08 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 73.24 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -57.67 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 74.43 108.268 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.564 ' NZ ' ' CD1' ' A' ' 940' ' ' ILE . 7.6 mmmt -62.28 -49.68 74.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 73.31 109.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -58.12 -32.26 67.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.3 108.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.44 42.4 1.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 74.1 110.978 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.3 tp60 -101.71 118.21 36.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 73.3 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.6 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.21 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.695 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.9 m0 -68.8 -34.8 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.45 107.948 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 170.39 -122.77 1.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 73.54 111.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.72 151.51 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 75.25 110.362 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 19.1 tpp -95.38 92.53 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 71.43 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.82 151.94 27.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.25 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 955' ' ' GLN . 16.8 t -125.57 150.15 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 64.1 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -142.34 103.45 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 70.43 109.567 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 15.4 mttp 62.51 23.2 13.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.58 0.66 57.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 74.34 111.027 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.24 162.35 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 70.41 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.41 ' N ' HD11 ' A' ' 977' ' ' LEU . 2.6 p30 -110.63 116.02 30.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 61.54 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.84 96.17 13.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.25 109.339 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.436 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.95 116.47 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 62.4 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.19 104.53 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 61.03 108.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.1 mp -86.42 166.87 15.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 73.44 109.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.411 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 18.1 mttt -128.67 122.39 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 65.02 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.565 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.8 mt -58.68 -18.55 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.13 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -6.34 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.23 110.372 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.5 m-20 -124.57 -0.85 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.42 109.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.5 m-85 -121.86 -176.28 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 63.31 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 19.7 t -137.38 160.97 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 74.31 109.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.04 116.93 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 75.22 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 906' ' ' LEU . 2.7 t -113.88 124.26 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.12 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -82.41 137.46 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 74.1 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 902' ' ' LEU . 26.8 ttpp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.33 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 75.34 109.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.04 129.78 54.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 72.11 109.312 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -107.07 110.9 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 70.52 110.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.0 m-85 -102.79 -171.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.23 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.467 ' CA ' HG21 ' A' ' 984' ' ' ILE . 6.1 pttm -126.1 -48.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.42 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 19.3 mttm -120.33 158.6 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.41 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.565 ' CE3' HG13 ' A' ' 984' ' ' ILE . 21.7 m95 -70.17 -24.45 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.35 107.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.9 p -61.19 -21.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 65.53 109.33 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.99 -26.57 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 74.1 110.331 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.419 ' CD2' ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.44 112.36 5.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 72.11 109.377 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -74.99 -5.65 17.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 74.45 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.28 133.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 74.31 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.3 t -69.99 151.83 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 71.14 110.421 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.419 ' CE1' ' CD2' ' A' 1006 ' ' LEU . 6.8 m-85 -129.2 163.09 48.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 73.35 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 73.34 111.019 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' 1007 ' ' PRO . 7.7 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 73.05 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -123.15 131.15 24.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.41 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.428 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.2 Cg_endo -74.97 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 64.24 111.021 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -85.72 -24.08 27.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 74.23 110.035 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -23.09 20.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 73.05 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.21 159.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 75.04 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.516 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.55 162.29 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 74.12 110.364 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 8.3 m-30 -103.33 137.54 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 75.13 111.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -131.04 177.24 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 74.13 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 50.4 t -92.07 120.35 32.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.023 -0.99 . . . . 53.44 110.914 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -50.7 -59.62 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 71.02 109.28 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -46.3 -59.66 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 75.3 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 911' ' ' SER . 79.0 m -97.17 -102.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 63.11 108.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.0 OUTLIER 155.93 40.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.35 109.969 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.81 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 74.31 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.516 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -65.39 106.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 73.52 109.288 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.435 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.39 -35.3 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.44 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -177.69 162.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 74.51 108.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.467 ' CB ' HG22 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.43 155.29 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 65.15 109.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.12 -52.22 23.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 75.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.428 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.5 pp20? -55.26 -30.78 60.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 74.54 110.289 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.91 29.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 62.43 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.47 149.61 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 74.21 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -114.99 170.0 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 65.54 109.574 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.13 109.312 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.283 -0.636 . . . . 73.25 109.283 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 66.7 t30 -97.39 96.92 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 60.24 109.262 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.2 mtt -82.52 47.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 73.15 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.36 123.98 37.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.12 110.394 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 64.01 111.021 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.47 -31.58 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 62.43 110.306 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.29 -21.72 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.52 110.958 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.83 -15.99 62.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.19 6.09 32.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 65.14 110.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.592 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.9 mt -114.24 -10.28 12.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 71.54 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -130.44 151.13 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 72.24 111.023 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . 0.562 ' CD1' ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.82 139.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.34 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.31 131.08 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 72.4 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.1 OUTLIER -105.75 122.3 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 74.41 110.346 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -49.42 104.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 72.43 110.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.463 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.7 t30 -157.46 130.53 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.12 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -96.67 -8.24 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.44 109.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.98 -13.51 35.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 71.01 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.7 mm? -102.58 -75.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.02 109.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.537 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 71.22 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.464 HE22 ' NE2' ' A' ' 948' ' ' GLN . 31.4 tp60 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.293 -0.262 . . . . 72.11 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.537 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.0 157.86 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 74.52 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . 0.427 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -96.53 -25.72 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.55 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.56 -137.54 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 75.43 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -121.61 122.43 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 71.14 110.254 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' A' ' 939' ' ' TYR . 4.8 pt -80.69 134.21 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.14 109.294 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 21.1 pt -134.3 139.92 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 73.32 109.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -58.63 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.1 108.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.562 ' NZ ' ' CD1' ' A' ' 940' ' ' ILE . 8.5 mmmt -63.29 -49.38 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.25 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.1 m -57.93 -31.76 67.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 72.31 108.258 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.05 41.99 1.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 73.14 111.005 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.7 tp60 -102.85 117.96 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 72.4 110.283 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -51.05 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.52 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.657 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.0 m0 -68.83 -32.29 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 70.44 108.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 168.09 -114.86 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 63.31 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.06 156.95 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 74.32 110.399 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.478 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 16.3 tpp -100.26 95.33 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.31 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 34.8 mtp -81.99 147.66 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.13 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 3.6 t -125.76 143.51 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 72.22 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.544 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.0 t-80 -132.56 104.74 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 72.4 109.585 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 0.0 OUTLIER 61.7 15.42 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 71.13 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.86 4.42 33.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 75.43 111.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.502 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 10.8 tp -79.32 166.31 22.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 74.54 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.34 112.33 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 70.41 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.69 96.38 13.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.43 109.338 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.441 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.98 116.49 4.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 75.55 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.09 106.47 18.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 72.12 108.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.566 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -87.86 169.73 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.15 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 6.1 mttm -131.26 122.9 27.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.31 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.589 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.0 mt -58.79 -18.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.31 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -72.67 -5.73 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 74.1 110.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.9 m-20 -125.46 -0.19 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.15 109.305 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.657 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.3 m-85 -122.37 -176.28 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.34 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.92 162.77 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 75.14 109.316 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.56 123.63 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.22 109.286 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' A' ' 906' ' ' LEU . 1.2 t -113.69 114.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.4 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.482 ' CD1' HG21 ' A' ' 903' ' ' ILE . 55.5 m-85 -84.89 118.67 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 75.04 110.921 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 75.53 109.321 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 990' ' ' VAL . 2.3 ttpp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.633 . . . . 71.51 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -108.03 157.59 18.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 73.23 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -123.99 107.92 11.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 64.04 110.314 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 92.6 m-85 -98.79 -171.62 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.2 111.017 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.473 ' CA ' HG23 ' A' ' 984' ' ' ILE . 7.3 pttt -127.03 -47.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 75.2 109.244 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' 1001 ' ' LYS . 0.0 OUTLIER -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 74.13 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.589 ' CE3' HG13 ' A' ' 984' ' ' ILE . 29.7 m95 -67.53 -26.32 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.21 108.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.8 p -61.67 -31.8 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 63.42 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.26 -22.84 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' 1010 ' ' PHE . 6.7 tp -62.34 112.43 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 74.32 109.294 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.456 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 62.21 111.013 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.46 134.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.33 109.255 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -71.17 146.36 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 62.2 110.387 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' 1006 ' ' LEU . 6.2 m-85 -124.83 165.21 26.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.3 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 75.01 110.993 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' 1007 ' ' PRO . 29.0 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 72.24 109.282 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -102.28 125.92 34.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 75.52 109.309 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.432 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.1 Cg_endo -75.05 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 74.25 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.9 -19.82 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 63.13 110.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.62 -23.71 18.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 74.3 109.276 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.503 HG23 ' CE1' ' A' ' 991' ' ' PHE . 0.3 OUTLIER -101.26 151.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 75.04 109.314 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.515 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -141.41 159.74 41.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 71.32 110.443 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.557 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.4 m-30 -100.99 139.58 36.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 65.13 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.87 176.01 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 72.15 109.329 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -91.08 122.85 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.009 -0.996 . . . . 73.11 110.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -52.83 -61.44 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 71.55 109.267 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -44.62 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.34 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.3 m -100.04 -101.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 65.44 108.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.0 t 154.69 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 72.25 109.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.03 133.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.22 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.515 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.0 OUTLIER -61.5 106.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 64.33 109.283 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.85 -36.18 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.14 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.67 166.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 72.55 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.65 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 74.15 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . 0.557 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -65.48 -29.73 75.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 74.44 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.3 pp20? -83.37 -17.26 42.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 73.1 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 19.22 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 75.1 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -118.09 157.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 72.24 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -117.85 157.17 27.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 73.53 109.598 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 75.34 109.309 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 74.31 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -97.0 95.59 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.01 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.19 47.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.53 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.15 124.19 36.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.33 110.452 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.492 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.5 Cg_endo -74.95 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 73.11 111.043 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.18 -28.65 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 75.5 110.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -68.03 -19.47 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 74.23 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.57 -16.26 64.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 71.3 109.329 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.24 4.34 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.42 110.267 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.46 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.9 mt -107.9 -18.88 13.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 75.24 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -121.16 152.11 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.24 111.038 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.07 136.36 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 74.44 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.4 134.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.45 109.278 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.08 121.45 45.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.24 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.15 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.44 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -154.31 130.33 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 64.31 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -96.55 -8.07 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 75.05 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.21 -13.42 37.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 63.44 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.8 mm? -103.61 -76.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 74.41 109.279 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 75.53 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 973' ' ' VAL . 10.4 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.283 -0.265 . . . . 72.0 110.283 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.521 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -115.26 156.93 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 65.13 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -96.42 -26.82 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.21 109.306 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.01 -137.21 5.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 70.1 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.26 126.69 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 74.24 110.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.561 HG21 ' CD1' ' A' ' 939' ' ' TYR . 10.6 pt -83.97 137.17 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 65.3 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 28.0 pt -138.58 143.7 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.21 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -62.88 -174.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 72.5 108.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.69 -51.12 70.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 75.42 109.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.0 m -55.99 -36.65 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 74.12 108.335 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 115.11 38.3 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 54.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -97.84 118.05 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 73.24 110.306 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.69 97.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 64.34 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.2 m0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.33 108.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 164.75 -120.1 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 73.24 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.36 161.93 41.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 73.12 110.421 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.447 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 27.1 tpp -109.02 98.45 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.43 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.0 mtp -82.1 150.14 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 73.4 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 955' ' ' GLN . 4.1 t -126.68 144.13 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 73.11 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.458 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.2 t-80 -133.21 98.16 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.43 109.631 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.458 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 10.8 mtmt 60.86 21.76 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.44 109.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 106.46 6.64 35.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 61.14 111.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.59 166.37 21.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 71.02 109.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -121.83 110.93 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.21 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.01 96.65 14.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 73.32 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 63.43 110.996 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.84 105.36 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 75.53 108.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.565 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.21 168.95 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.24 109.303 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 13.4 mttt -128.61 122.82 31.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.23 109.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.561 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.6 mt -60.44 -17.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.43 109.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.92 -11.62 60.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 72.02 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.9 m-20 -118.15 -4.59 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.14 109.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.49 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 24.6 m-85 -116.4 -177.58 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 74.05 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . 0.413 HG23 ' NE2' ' A' ' 999' ' ' GLN . 11.4 t -138.02 162.02 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.14 109.291 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.489 HG23 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.84 122.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.22 109.269 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 906' ' ' LEU . 1.3 t -113.85 120.66 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 71.31 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' A' ' 903' ' ' ILE . 57.4 m-85 -91.69 118.64 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 75.24 111.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.52 109.28 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.314 -0.624 . . . . 74.45 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.28 171.46 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 72.45 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . 0.413 ' NE2' HG23 ' A' ' 988' ' ' VAL . 12.3 tt0 -140.51 106.0 5.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 73.11 110.244 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.489 ' CD1' HG23 ' A' ' 989' ' ' VAL . 65.0 m-85 -93.73 -170.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 72.52 111.02 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.464 ' CA ' HG23 ' A' ' 984' ' ' ILE . 53.5 pttt -126.66 -48.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 74.43 109.336 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' 1001 ' ' LYS . 24.7 mttp -119.15 157.26 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.11 109.35 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.561 ' CE3' HG13 ' A' ' 984' ' ' ILE . 34.9 m95 -68.5 -24.65 64.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 75.25 108.004 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.0 p -64.1 -31.53 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.67 -18.88 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 71.05 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.07 113.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.45 109.283 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.479 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.97 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 75.33 111.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.8 OUTLIER -87.21 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.34 109.305 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -83.13 135.23 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.31 110.394 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -106.65 165.03 13.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.34 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 64.3 110.979 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.3 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.329 -0.619 . . . . 75.25 109.329 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -107.61 125.84 31.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.33 109.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.01 0.71 8.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 72.11 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 17.8 t -84.1 -26.32 29.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 73.01 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.14 -24.04 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.43 109.357 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.538 HG21 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.79 158.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.42 109.317 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.51 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.94 159.56 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 63.34 110.42 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.73 139.86 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 72.1 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.7 OUTLIER -133.95 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 74.41 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.2 t -90.73 122.1 33.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.995 -1.002 . . . . 64.12 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -52.82 -60.57 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 75.32 109.36 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -44.95 -57.77 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.23 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -99.96 -100.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.14 108.318 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.9 p 153.82 42.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.14 110.031 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.58 131.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 71.05 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.51 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -60.23 106.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.25 109.272 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.425 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -85.56 -35.76 20.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.44 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.68 168.24 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 73.42 108.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 5.9 m -106.77 156.67 18.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 74.42 109.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.09 -48.5 62.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 61.42 111.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.8 pp20? -63.19 -25.86 68.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 74.33 110.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.63 32.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 73.33 109.32 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.6 147.69 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.12 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.45 156.25 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.35 109.642 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 53.51 109.273 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.344 -0.613 . . . . 62.15 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.452 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 63.9 t30 -101.93 95.94 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.41 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.9 mtt -83.99 46.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 73.01 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -103.24 124.12 39.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 75.42 110.385 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 74.41 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.96 -23.42 65.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.31 110.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.426 ' CB ' ' HB ' ' A' ' 932' ' ' THR . 66.8 t80 -73.44 -22.53 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.43 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.0 ptpt -65.04 -14.35 60.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 72.25 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.64 2.79 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.45 110.361 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.416 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.0 mt -108.85 -22.63 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 74.14 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -116.47 151.2 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 73.04 111.014 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.8 mt -130.14 136.47 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 75.45 109.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.69 133.22 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.13 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.433 ' CD ' HD12 ' A' ' 961' ' ' ILE . 0.7 OUTLIER -114.9 122.13 45.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.45 110.275 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -47.14 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 63.53 110.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.501 HD22 ' N ' ' A' ' 947' ' ' LEU . 2.2 t30 -153.29 121.67 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.33 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -89.94 -8.76 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.21 109.321 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -13.91 36.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 74.44 109.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.501 ' N ' HD22 ' A' ' 944' ' ' ASN . 2.0 mm? -108.57 -75.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 75.23 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 74.54 110.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 973' ' ' VAL . 37.9 tp60 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.257 -0.275 . . . . 53.23 110.257 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.453 ' H ' ' NE2' ' A' ' 955' ' ' GLN . 0.9 OUTLIER -115.29 158.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.25 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -107.3 -24.06 12.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 75.32 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.19 -137.82 5.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 72.5 111.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . 0.477 ' CG ' ' HG ' ' A' ' 947' ' ' LEU . 12.9 tt0 -128.63 132.37 48.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 75.32 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.564 HG21 ' CD1' ' A' ' 939' ' ' TYR . 11.3 pt -87.1 136.25 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.41 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.0 pt -137.16 145.04 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 75.13 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -64.4 -174.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 71.24 108.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -61.97 -50.96 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 75.11 109.276 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.8 m -56.16 -34.46 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 62.14 108.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.08 1.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 70.35 110.967 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.1 tp60 -99.94 118.85 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 73.52 110.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -52.09 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 74.32 109.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.3 m0 -66.43 -36.45 82.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.32 108.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.71 -128.72 1.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 73.44 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.24 151.24 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 73.31 110.415 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' MET . . . . . . . . . . . . . 14.8 tpp -94.1 93.98 8.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 72.54 111.024 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 27.1 mtp -82.17 153.42 26.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.14 110.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 955' ' ' GLN . 11.5 t -124.8 149.23 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.12 109.267 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.02 100.97 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 70.44 109.624 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp 60.19 24.57 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.2 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.44 56.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 65.32 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 978' ' ' ASP . 0.7 OUTLIER -79.38 162.47 25.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 73.11 109.302 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.407 ' N ' HD12 ' A' ' 977' ' ' LEU . 14.6 m-20 -109.49 115.66 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 74.11 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -134.4 96.23 15.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 74.33 109.316 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 73.13 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.66 106.37 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 71.54 108.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -88.3 166.37 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 74.54 109.279 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.411 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 19.1 mttt -128.03 124.08 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 73.53 109.289 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.571 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -59.34 -19.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 75.42 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -6.21 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 74.43 110.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 73.9 m-20 -124.28 -0.83 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 63.14 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.7 m-85 -122.09 -176.45 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 73.22 111.012 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . 0.409 HG22 ' NE2' ' A' ' 999' ' ' GLN . 17.7 t -139.61 162.37 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 73.51 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.514 HG23 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -121.07 123.38 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.51 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 906' ' ' LEU . 1.0 OUTLIER -112.82 115.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 64.11 109.333 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.538 ' CD1' HG21 ' A' ' 903' ' ' ILE . 38.9 m-85 -85.14 118.72 24.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.23 111.052 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 75.11 109.257 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 990' ' ' VAL . 2.5 ttpp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.298 -0.63 . . . . 73.44 109.298 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -109.42 155.53 21.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.31 109.327 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 988' ' ' VAL . 15.7 tt0 -121.91 105.41 10.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 72.4 110.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.514 ' CD1' HG23 ' A' ' 989' ' ' VAL . 73.7 m-85 -93.99 -172.49 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 63.33 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.473 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.3 pttt -126.31 -49.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 64.3 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' 1001 ' ' LYS . 11.1 mtpt -115.81 164.17 14.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 73.41 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.5 m95 -75.96 -14.12 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 75.03 108.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.3 p -76.02 -34.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.22 109.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.99 -19.24 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.55 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.07 115.44 40.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 75.03 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.95 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 73.1 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.14 135.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.32 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -81.09 129.19 34.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.1 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.34 165.65 14.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 75.32 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 73.12 111.024 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 75.25 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.74 126.2 28.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 75.34 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.464 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.22 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.0 t -82.99 -23.9 33.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 72.43 109.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.18 -23.65 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.31 109.294 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.78 156.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.31 109.255 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.502 HG22 ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -143.94 169.47 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.44 110.4 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 920' ' ' ILE . 13.2 m-30 -108.41 138.64 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.24 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 990' ' ' VAL . 2.3 mt -133.36 159.15 41.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.31 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 40.5 t -73.64 130.74 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.952 -1.022 . . . . 73.33 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 18.7 ttpt -57.97 -62.09 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 71.52 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -43.89 -61.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.02 109.311 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.9 m -98.03 -102.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.2 108.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.5 p 157.85 41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.32 110.039 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.0 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 64.13 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 904' ' ' THR . 0.4 OUTLIER -60.79 106.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.51 109.34 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.44 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -89.19 -36.09 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 62.33 109.29 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.9 169.65 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.34 108.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 23.4 p -113.72 148.08 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.15 109.984 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -48.78 -45.35 31.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 64.33 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.69 -28.82 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 71.42 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -93.12 30.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 70.03 109.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.35 153.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 75.44 109.334 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -119.41 172.38 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 75.54 109.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 73.12 109.274 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 64.3 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 5.2 t-20 -103.39 95.77 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 74.33 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 35.0 mmm -84.37 45.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 64.45 110.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.1 124.18 34.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 74.23 110.38 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.49 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.808 . . . . 70.21 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -55.9 -32.98 64.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 73.34 110.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.54 -21.78 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 74.33 110.987 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 13.0 ptpt -62.89 -19.46 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.5 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.53 4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.42 110.249 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.526 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.3 mt -111.33 -19.85 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 73.24 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -124.1 149.63 45.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.32 110.999 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -125.11 135.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 70.12 109.348 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.43 133.79 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.32 109.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 122.48 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.51 110.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.55 104.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 71.35 110.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.468 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -153.14 129.79 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 65.02 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.45 -7.91 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 75.15 109.339 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.29 -13.42 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 64.54 109.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.7 mm? -103.42 -77.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.45 109.28 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 52.42 110.253 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 11.7 tm0? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.305 -0.257 . . . . 74.14 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -113.34 156.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.272 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.56 -23.18 12.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 72.24 109.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.27 -138.96 6.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 70.21 111.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.7 144.25 50.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 64.03 110.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.569 HG22 ' CD1' ' A' ' 939' ' ' TYR . 17.7 pt -101.82 135.4 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 73.33 109.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 23.7 pt -134.7 148.4 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.42 109.26 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -66.61 -174.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.24 108.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 3.9 mmmm -58.66 -51.7 68.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 75.34 109.311 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.78 -38.69 72.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 63.11 108.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.78 36.96 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 62.14 111.057 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -95.23 116.07 28.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 72.34 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.2 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 74.25 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.742 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -70.34 -31.92 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 74.22 108.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 167.11 -123.52 1.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 71.02 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.69 163.86 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 74.23 110.43 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.449 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 28.1 tpp -111.59 105.14 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.09 . . . . 72.23 111.006 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' MET . . . . . 0.475 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 1.9 mtm -81.78 172.42 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.5 110.971 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 955' ' ' GLN . 45.0 t -137.71 158.38 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.41 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.5 t-80 -157.47 101.79 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 73.34 109.572 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.8 mttp 61.7 15.34 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 74.34 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.92 1.93 34.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 73.33 110.958 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 978' ' ' ASP . 0.8 OUTLIER -79.34 166.43 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 74.23 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.418 ' N ' HD11 ' A' ' 977' ' ' LEU . 0.5 OUTLIER -116.01 112.02 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.21 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -121.7 97.06 46.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.5 109.274 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.43 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.91 113.91 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 75.43 111.073 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.64 105.11 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 73.32 108.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -82.92 155.5 24.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 71.15 109.259 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 46.7 mttt -124.78 121.34 34.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 75.42 109.234 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.574 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -58.52 -30.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 75.22 109.252 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -64.19 -14.3 54.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.12 110.314 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.1 m-20 -115.68 0.41 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 62.21 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.742 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.1 m-85 -126.64 -179.37 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.31 110.957 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 908' ' ' LYS . 3.2 t -138.94 162.39 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 72.01 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.31 136.65 58.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.45 109.294 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 906' ' ' LEU . 2.6 t -132.09 132.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 73.32 109.346 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.509 ' CE1' HG21 ' A' ' 903' ' ' ILE . 65.2 m-85 -96.64 135.02 39.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.15 110.997 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.01 109.284 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.3 -0.63 . . . . 74.22 109.3 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.26 150.99 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 75.53 109.269 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -127.92 110.61 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 72.15 110.282 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.465 ' C ' ' CG2' ' A' ' 984' ' ' ILE . 83.7 m-85 -101.87 -177.35 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 74.51 110.965 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.474 ' CA ' HG21 ' A' ' 984' ' ' ILE . 36.0 pttt -123.1 -47.45 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.45 109.301 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 24.7 mttm -119.89 151.44 38.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.3 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 984' ' ' ILE . 60.7 m95 -62.72 -34.83 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 75.24 107.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.4 p -53.39 -27.28 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.34 109.305 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -69.68 -34.41 73.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 74.44 110.29 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' 1010 ' ' PHE . 7.3 tp -51.37 108.55 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 74.22 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.457 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 71.34 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.47 130.85 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.32 109.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 t -65.78 137.9 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 54.41 110.386 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.479 ' CZ ' HD21 ' A' 1006 ' ' LEU . 3.7 m-85 -124.59 166.03 21.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.12 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 73.5 111.004 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.264 -0.643 . . . . 75.51 109.264 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 902' ' ' LEU . 5.9 t-20 -128.59 124.43 22.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 72.44 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 1.34 7.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 71.34 110.953 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.0 t -87.7 -24.7 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 73.13 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 899' ' ' ASN . 0.5 OUTLIER -91.32 -24.15 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 74.44 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.54 156.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 73.41 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.506 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.33 162.49 39.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 74.15 110.425 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.529 ' CE2' HG13 ' A' ' 920' ' ' ILE . 9.0 m-30 -104.13 140.76 37.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 75.53 111.003 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.5 OUTLIER -134.5 176.11 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.34 109.356 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.5 t -90.44 122.18 33.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.025 -0.988 . . . . 64.34 110.928 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -52.82 -60.29 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 71.3 109.308 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -45.08 -57.74 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 74.25 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -100.01 -101.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.01 108.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.7 p 154.55 41.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.4 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.06 131.24 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 72.15 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.506 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -60.22 107.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.14 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.77 -34.76 18.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 74.2 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.12 165.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 72.35 108.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 8.9 t -109.01 159.85 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 62.52 110.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.61 -52.86 35.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 41.23 111.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.416 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -59.33 -25.28 64.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 74.21 110.251 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 29.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 75.02 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.529 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.26 156.43 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 75.53 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . 0.401 ' N ' HG23 ' A' ' 920' ' ' ILE . 8.1 m170 -124.81 159.41 31.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 65.43 109.617 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.53 109.312 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . 0.42 ' CG1' ' SG ' ' A' ' 981' ' ' CYS . 4.7 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.279 -0.638 . . . . 75.12 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.13 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.14 109.323 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 30.7 mmm -83.92 46.75 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.53 110.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.04 126.2 31.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.21 110.378 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.472 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.93 -45.23 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 61.51 111.052 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.97 -28.98 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.14 110.346 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.402 ' CB ' ' HB ' ' A' ' 932' ' ' THR . 78.4 t80 -68.53 -19.43 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 74.24 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -65.64 -17.34 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.13 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -105.0 4.65 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 73.51 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.59 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -110.23 -11.48 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 70.13 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -127.69 149.27 50.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.24 110.99 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -125.53 138.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 72.15 109.272 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.83 136.16 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 71.02 109.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.433 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.21 119.36 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 75.22 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -45.2 104.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.22 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.458 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.4 t30 -155.11 129.22 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.21 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -96.72 -7.06 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 74.11 109.308 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.29 -13.08 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 73.44 109.273 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -100.53 -55.65 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 75.22 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.542 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.21 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 9.4 tm0? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.282 -0.266 . . . . 72.42 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.542 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.9 OUTLIER -113.32 158.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 73.31 109.293 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -104.33 -24.74 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.13 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.95 -139.7 6.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 63.23 110.983 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -125.66 133.9 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 72.53 110.306 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.554 HG23 ' CD1' ' A' ' 939' ' ' TYR . 20.1 pt -92.75 136.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.34 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 15.4 pt -138.65 145.17 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 74.5 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.65 -174.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.4 108.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -60.6 -51.63 68.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 75.41 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.3 m -56.33 -35.1 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.21 108.261 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.88 39.26 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 75.55 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.5 tp60 -96.29 121.34 37.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 71.43 110.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -53.27 91.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 72.21 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.7 m0 -65.45 -39.34 91.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 73.31 108.024 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.8 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 74.35 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.42 156.53 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 73.54 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 27.4 tpp -102.19 100.34 10.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 74.34 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 2.6 mtm -82.09 166.41 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.51 110.971 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 955' ' ' GLN . 9.6 t -143.37 138.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 60.24 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.7 t-80 -127.3 101.51 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.51 109.579 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.6 mttp 59.18 21.34 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 72.54 109.347 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.3 12.35 29.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 72.24 111.03 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 16.7 tp -83.59 166.19 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 72.05 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -119.26 110.03 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 75.11 109.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.55 98.07 8.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 73.43 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.446 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 117.42 4.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.766 . . . . 73.43 111.028 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . 0.42 ' SG ' ' CG1' ' A' ' 929' ' ' VAL . 1.7 m -95.73 106.66 18.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.45 108.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.2 mp -89.48 164.71 14.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 72.3 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 12.7 mttt -125.14 122.1 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 74.31 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.572 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.7 mt -59.24 -19.07 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 73.34 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.78 -6.33 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.44 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 78.1 m-20 -123.48 -1.64 8.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 70.42 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.9 m-85 -121.56 -176.85 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.12 110.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . 0.409 HG22 ' NE2' ' A' ' 999' ' ' GLN . 12.7 t -139.02 161.81 28.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.44 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -120.61 123.77 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 71.4 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 906' ' ' LEU . 1.1 t -113.49 121.43 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 72.5 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.489 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -90.11 119.63 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.01 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 73.21 109.261 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.351 -0.611 . . . . 75.25 109.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -109.72 160.65 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 74.24 109.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 988' ' ' VAL . 18.9 tt0 -127.7 105.99 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 64.31 110.295 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.479 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 70.1 m-85 -94.14 -170.9 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.41 110.992 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.47 ' CA ' HG21 ' A' ' 984' ' ' ILE . 6.5 pttp -128.36 -47.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 74.21 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 33.2 mttt -121.15 155.26 34.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 74.25 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 984' ' ' ILE . 25.2 m95 -66.75 -23.58 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.33 107.988 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.1 p -65.36 -28.47 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.11 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.88 -16.47 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 74.41 110.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.79 114.09 23.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 64.44 109.268 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.99 -0.84 10.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 73.34 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -92.41 134.0 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.3 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -69.92 158.49 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 35.24 110.386 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -134.57 161.82 61.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 73.04 111.024 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 62.55 110.988 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' 1007 ' ' PRO . 19.1 t-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 72.3 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -115.96 123.33 31.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.22 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.437 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 75.55 111.048 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 10.9 t -84.89 -26.37 27.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 71.21 109.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.39 -27.04 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 74.31 109.304 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -96.08 158.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.32 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.514 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.6 158.14 43.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 70.54 110.447 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.8 m-30 -99.53 139.36 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 74.34 111.031 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.481 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.78 176.37 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.31 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.8 t -89.21 122.81 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.971 -1.013 . . . . 75.14 110.912 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -53.35 -60.4 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.24 109.3 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -45.43 -57.01 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.41 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.0 m -100.64 -101.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 73.1 108.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.84 43.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 73.03 109.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.99 131.94 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.41 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -61.05 106.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.43 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.54 -34.67 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 54.41 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . 0.42 ' SG ' ' ND2' ' A' ' 930' ' ' ASN . 1.1 p -179.24 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 75.12 108.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 41.9 p -104.6 160.38 15.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.11 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . 0.417 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -55.41 -50.84 58.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 71.31 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -24.46 66.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 65.5 110.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -93.15 28.84 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.43 109.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.531 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -133.24 157.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 74.31 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -126.24 153.71 44.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.42 109.629 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.294 -0.632 . . . . 75.1 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 915' ' ' CYS . 6.2 t-20 -95.74 95.76 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 75.41 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 49.6 mtt -84.56 46.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 71.4 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.421 ' HB ' ' CB ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -103.66 123.99 39.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 75.31 110.433 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.459 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -75.02 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.552 1.817 . . . . 73.01 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.23 -27.2 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.23 110.341 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.57 ' CZ ' HD22 ' A' ' 982' ' ' LEU . 81.6 t80 -70.14 -19.58 63.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.44 110.969 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.6 ptpt -65.45 -16.66 63.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 72.44 109.22 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.04 4.35 31.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 64.24 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.589 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 14.5 mt -109.85 -15.46 14.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.2 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.623 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -122.41 150.32 42.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.22 110.995 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.79 137.19 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 75.32 109.333 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.76 132.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 65.35 109.32 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.461 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.11 124.54 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 74.12 110.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -46.78 104.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 73.13 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 947' ' ' LEU . 2.2 t30 -155.37 123.08 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 73.53 109.294 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -93.48 -7.97 42.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.44 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.09 -12.8 42.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 73.22 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -102.05 -57.2 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 73.14 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.532 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.41 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 973' ' ' VAL . 11.2 tm0? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.302 -0.259 . . . . 74.43 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.532 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -108.71 158.74 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 72.1 109.328 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -25.77 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.4 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.35 -137.5 4.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 73.53 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.93 138.39 54.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 72.53 110.302 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.56 HG23 ' CD1' ' A' ' 939' ' ' TYR . 7.9 pt -97.67 134.22 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 71.15 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.461 ' CD1' ' HD3' ' A' ' 942' ' ' ARG . 30.3 pt -137.68 148.21 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 73.5 109.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.05 -174.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 71.44 108.283 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -62.14 -51.77 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.03 109.317 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.8 m -55.08 -34.48 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 71.12 108.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.5 37.73 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 73.22 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.5 tp60 -95.98 121.29 37.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 0.798 . . . . 74.34 110.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -55.59 92.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 71.1 109.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 7.2 m0 -65.63 -38.72 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.01 107.999 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . 0.469 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 170.95 -117.89 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 72.01 111.017 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' THR . . . . . 0.448 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -152.63 164.64 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 62.41 110.438 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' MET . . . . . . . . . . . . . 26.4 tpp -109.88 96.41 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.24 110.995 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 28.7 mtp -82.09 153.64 25.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 74.2 110.996 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 955' ' ' GLN . 11.0 t -124.0 147.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 73.42 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.455 ' ND1' ' C ' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -138.46 101.38 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.43 109.585 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 60.63 22.37 12.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.42 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.55 1.37 50.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 73.23 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.39 166.66 21.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 75.41 109.329 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -116.02 114.54 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 74.12 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -133.7 96.55 16.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.31 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 121.32 6.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 74.53 111.041 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 983' ' ' LYS . 1.7 m -98.43 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 74.1 108.359 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -97.17 145.71 25.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 75.44 109.26 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.3 OUTLIER -109.28 126.88 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 72.24 109.271 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.568 HD11 ' CE3' ' A' 1003 ' ' TRP . 1.7 mt -58.93 -26.57 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 74.33 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 6.3 ptt180 -66.3 -7.89 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 74.15 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.9 m-20 -117.96 -5.83 11.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 74.33 109.264 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.2 m-85 -121.86 -175.93 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 74.11 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.33 162.18 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.11 109.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.565 HG22 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -119.89 124.18 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.44 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 906' ' ' LEU . 1.0 OUTLIER -112.89 116.35 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 62.4 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.03 118.2 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 75.12 110.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' A' ' 992' ' ' LYS . 8.8 mtmp? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 71.03 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.277 -0.638 . . . . 74.31 109.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.37 151.79 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 73.35 109.249 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -118.29 104.89 11.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.23 110.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.565 ' CD1' HG22 ' A' ' 989' ' ' VAL . 59.2 m-85 -92.01 -174.47 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 75.05 111.002 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.475 ' CA ' HG21 ' A' ' 984' ' ' ILE . 10.5 pttt -124.58 -48.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.53 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 159.53 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 75.22 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.568 ' CE3' HD11 ' A' ' 984' ' ' ILE . 48.0 m95 -71.0 -16.76 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.51 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.4 p -72.74 -32.9 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.11 109.295 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.12 -19.49 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.23 110.328 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.55 116.58 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 75.33 109.275 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.472 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 60.32 111.059 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.01 133.14 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 75.41 109.259 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -80.58 121.7 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.23 110.43 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.57 165.63 17.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.01 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.494 1.787 . . . . 75.22 111.014 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.352 -0.61 . . . . 73.4 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -144.71 130.03 9.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 73.43 109.249 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.422 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.2 Cg_endo -75.02 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 74.51 110.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.02 -26.47 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 71.51 110.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -27.97 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 75.43 109.324 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -95.93 156.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.52 109.305 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.512 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.47 161.99 40.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.02 110.424 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.23 139.37 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 75.23 111.002 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.451 ' O ' ' CD2' ' A' ' 987' ' ' PHE . 1.4 mt -133.92 173.56 11.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 74.32 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.6 t -92.25 114.5 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.003 -0.999 . . . . 64.32 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -46.71 -58.96 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.24 109.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.7 m-20 -46.9 -58.38 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 72.33 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 911' ' ' SER . 70.8 m -99.12 -102.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 52.41 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.1 m 156.89 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 74.43 110.02 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -95.55 135.07 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.44 109.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.512 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -65.61 108.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.51 109.258 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.441 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.82 -35.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 63.21 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -176.62 162.99 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.45 108.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 42.8 p -109.7 158.84 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 53.24 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.6 -54.7 28.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.15 . . . . 70.33 110.989 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 8.1 pt-20 -52.71 -28.86 23.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 73.41 110.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 5.8 t0 -93.19 29.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.04 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.6 mm -133.09 149.98 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.44 109.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -121.15 158.55 27.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 64.43 109.62 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 64.21 109.294 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.329 -0.619 . . . . 73.24 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 5.6 t-20 -98.47 95.95 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 73.13 109.282 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 22.7 mmm -83.14 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 62.21 110.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 121.97 42.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 74.4 110.359 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.0 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 72.52 111.019 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -55.7 -32.97 63.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.34 110.297 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' A' ' 982' ' ' LEU . 47.5 t80 -59.36 -22.81 61.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.31 110.989 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.3 ptpt -64.35 -15.86 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 74.21 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -105.15 4.28 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.44 110.344 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.403 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 12.4 mt -111.57 -22.89 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 74.34 109.26 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -120.17 151.73 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 74.33 110.974 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.57 137.44 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 73.1 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.47 134.63 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.42 109.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.98 121.05 43.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 74.32 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -46.39 104.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 52.41 110.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.6 t30 -155.71 115.83 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 73.33 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -86.7 -7.72 58.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 74.43 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.96 -14.5 48.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 74.05 109.313 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -104.53 -58.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 64.04 109.277 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.501 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.33 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 973' ' ' VAL . 12.4 tp60 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.342 -0.244 . . . . 74.1 110.342 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -114.25 157.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 75.1 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.18 -25.82 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.53 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.0 -141.18 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 73.24 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -126.11 128.71 47.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 75.43 110.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 939' ' ' TYR . 10.7 pt -84.72 134.51 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 75.43 109.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 26.7 pt -136.6 145.42 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 74.52 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.38 -175.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.12 108.299 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -61.05 -51.34 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 74.01 109.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.5 m -54.84 -36.38 64.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 64.14 108.265 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.3 37.38 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 51.43 110.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.424 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 23.2 tp60 -98.27 122.26 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 74.32 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 986' ' ' ASN . . . -52.5 101.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.45 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.608 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -76.04 -34.66 59.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 74.0 108.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.65 -124.57 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 73.11 110.993 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.74 153.91 36.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 72.13 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.451 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 16.5 tpp -98.08 92.67 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.02 110.998 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.0 mtp -81.88 148.35 28.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 73.32 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 955' ' ' GLN . 7.9 t -120.38 150.35 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 72.45 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.68 97.71 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 73.04 109.578 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 26.4 mttm 60.8 23.44 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.23 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.43 -0.71 43.15 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 73.42 110.948 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.422 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 7.6 tp -79.27 166.76 21.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 74.33 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -115.08 118.21 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.45 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -139.46 96.75 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.51 109.291 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 123.61 7.98 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 74.3 111.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.38 104.96 15.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.44 108.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.3 OUTLIER -78.67 165.13 23.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.41 109.276 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.44 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 73.0 mttt -130.74 116.42 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 73.42 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.576 HD11 ' CE3' ' A' 1003 ' ' TRP . 2.3 mt -58.49 -19.45 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 63.43 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.3 OUTLIER -72.57 -5.46 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 71.04 110.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.4 m-20 -128.42 3.01 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.33 109.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.608 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 22.6 m-85 -123.85 -175.77 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.43 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.02 154.64 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.14 109.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.69 116.5 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 74.31 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.98 121.46 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 73.32 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -78.11 137.71 38.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.4 110.988 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.01 109.301 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 72.33 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' 1000 ' ' TYR . 5.2 mptt -104.89 129.72 53.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 75.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -110.97 109.8 20.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.23 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.8 m-85 -102.53 -172.13 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 72.4 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.473 ' CA ' HG22 ' A' ' 984' ' ' ILE . 16.6 pttm -126.44 -44.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.03 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 27.7 mttm -119.97 155.62 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 75.44 109.323 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.576 ' CE3' HD11 ' A' ' 984' ' ' ILE . 32.1 m95 -71.42 -17.19 62.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 75.51 108.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.1 p -67.47 -26.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.42 109.269 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.34 -33.82 69.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 75.24 110.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.3 tp -52.11 107.5 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.01 109.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 75.13 110.993 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -89.62 130.04 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 74.43 109.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.1 t -67.32 146.01 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.4 110.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.9 162.6 40.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 74.13 110.986 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 74.11 110.987 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.5 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.28 -0.637 . . . . 74.04 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -119.48 129.51 25.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.25 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.422 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.3 Cg_endo -75.07 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 71.4 111.016 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -84.07 -24.98 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 74.44 109.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.4 OUTLIER -86.51 -28.18 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 75.23 109.304 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -95.91 155.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 74.32 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.508 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -146.44 158.87 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 75.21 110.413 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.36 139.37 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.24 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 987' ' ' PHE . 0.8 OUTLIER -133.64 177.37 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 65.13 109.308 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -92.65 121.28 33.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.069 -0.968 . . . . 74.03 110.942 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -51.82 -61.38 2.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.34 109.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -44.8 -58.51 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.31 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 911' ' ' SER . 74.1 m -98.51 -102.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 74.01 108.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.4 p 154.99 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.03 110.022 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.67 133.73 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 70.52 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.508 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.87 106.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.54 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.67 -35.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.04 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 71.22 108.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 19.0 t -103.99 163.54 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 74.22 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -62.5 -42.44 99.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 65.45 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 5.9 pt-20 -62.87 -28.07 69.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 75.04 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.8 t0 -94.28 30.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.34 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.1 mm -133.5 149.33 31.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 72.33 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -113.9 174.06 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.41 109.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 74.03 109.294 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.627 . . . . 75.24 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.456 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 66.0 t30 -119.23 96.78 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.4 mmt -82.65 47.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.52 111.033 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.404 ' OG1' ' OD1' ' A' ' 930' ' ' ASN . 0.6 OUTLIER -103.71 123.63 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 72.3 110.362 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.471 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -75.0 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 63.14 110.976 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.7 -33.73 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.02 110.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.47 -18.35 61.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 74.3 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.9 ptpt -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 73.22 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -103.55 4.2 35.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.12 110.352 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.463 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.8 mt -111.59 -18.45 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.35 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -121.51 149.18 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.34 111.011 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.0 137.38 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.22 109.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -102.37 125.9 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 64.34 109.295 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -97.46 139.25 33.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.23 110.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.32 104.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.1 110.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -157.59 129.3 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 73.1 109.292 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -96.71 -6.49 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 74.32 109.329 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.11 -12.86 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 74.55 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.82 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.23 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.524 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.44 110.363 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 9.2 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.303 -0.258 . . . . 72.13 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -112.21 159.2 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 74.31 109.258 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -103.55 -25.6 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 72.24 109.296 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.28 -138.17 5.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 74.24 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.19 131.19 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 71.14 110.291 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.539 HG22 ' CD1' ' A' ' 939' ' ' TYR . 8.8 pt -86.31 137.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.434 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.2 pt -139.47 143.96 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.35 109.303 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.96 -174.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 72.24 108.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.5 mmmm -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 75.22 109.291 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -56.14 -34.82 66.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 72.12 108.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.86 37.5 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 74.42 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -96.73 120.27 36.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 74.33 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -50.72 99.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 72.51 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.1 m0 -73.65 -28.24 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 75.23 107.977 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 162.93 -116.07 0.69 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 75.12 111.026 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' THR . . . . . 0.402 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -155.74 163.14 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 72.23 110.406 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -108.94 96.19 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 72.51 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.3 mtp -82.09 154.92 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 75.14 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 13.9 t -127.98 147.56 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.42 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -136.92 101.86 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 72.42 109.58 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 22.7 mttm 63.0 17.42 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 74.12 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.19 3.11 35.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 60.12 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.458 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 19.0 tp -79.31 167.34 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 72.43 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.514 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 13.1 m-20 -117.03 114.57 23.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.52 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -134.39 97.16 14.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 75.41 109.263 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.446 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.99 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.46 1.768 . . . . 64.44 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 106.77 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 61.02 108.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -86.22 173.72 9.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 73.41 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 24.2 mttt -132.8 122.88 25.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 73.44 109.287 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.569 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.9 mt -60.19 -19.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 65.41 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.61 -11.98 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.34 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.7 m-20 -117.97 -4.46 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 75.02 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 24.2 m-85 -117.14 -176.72 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.33 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.0 159.44 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 74.04 109.33 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.49 HG23 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.11 118.86 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.24 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.5 t -116.64 120.54 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 73.44 109.252 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -80.8 137.32 36.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.32 111.023 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 902' ' ' LEU . 14.4 ttmt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 74.41 109.307 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.628 . . . . 75.21 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 141.78 41.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 74.11 109.309 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -117.2 111.08 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 63.01 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.49 ' CD1' HG23 ' A' ' 989' ' ' VAL . 60.9 m-85 -101.01 -170.94 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 71.55 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.497 ' CA ' HG22 ' A' ' 984' ' ' ILE . 40.5 pttt -130.99 -45.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.21 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.462 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 20.4 mmtp -117.66 148.9 41.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 74.34 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.569 ' CE3' HG13 ' A' ' 984' ' ' ILE . 54.8 m95 -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.32 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1004 ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 1.1 p -56.98 -32.03 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 71.25 109.285 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.09 -23.41 67.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.43 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.528 ' CD2' ' CZ ' ' A' 1010 ' ' PHE . 6.1 tp -60.79 118.45 35.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 75.32 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 74.23 111.011 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.49 128.32 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 75.55 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -67.92 140.79 56.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 70.5 110.415 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.528 ' CZ ' ' CD2' ' A' 1006 ' ' LEU . 3.7 m-85 -116.85 165.07 16.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.44 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 75.24 110.957 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.1 t-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 74.21 109.277 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -109.83 127.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 72.31 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 71.02 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 4.5 t -84.86 -24.54 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 54.23 110.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -26.36 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 74.24 109.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -97.31 157.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 71.35 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.509 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -149.38 163.63 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.22 110.416 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.47 136.61 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.23 111.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.1 mt -135.49 158.3 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 71.13 109.244 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 44.5 t -75.44 121.47 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 74.44 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . 0.42 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 9.0 ttpp -52.55 -60.09 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 73.42 109.284 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.4 m-20 -43.89 -58.91 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 74.44 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.6 m -98.49 -101.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 73.25 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.5 p 155.71 42.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.22 110.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.96 135.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.13 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.509 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -65.52 108.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 73.1 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.437 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -89.05 -34.89 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.78 164.38 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 64.33 108.281 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 69.6 p -111.21 157.2 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.13 110.04 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.96 45.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 55.34 110.962 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.425 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 1.7 pp20? -56.88 -27.0 60.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 74.44 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.21 30.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 70.23 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.8 mm -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 75.51 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -122.21 171.21 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 73.33 109.612 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.41 109.297 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.339 -0.615 . . . . 73.15 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 6.0 t-20 -101.46 95.34 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 72.25 109.315 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 26.2 mtt -85.66 47.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 64.02 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 123.87 38.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 73.54 110.372 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 73.5 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.12 -34.02 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.52 110.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -59.34 -21.37 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 75.52 111.037 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.8 ptpt -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 75.22 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -104.96 2.3 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.31 110.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.07 -25.38 10.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.12 109.32 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -118.98 152.75 35.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.4 110.952 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.4 mt -125.71 135.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 75.11 109.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.3 t -98.35 135.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.04 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.476 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.3 OUTLIER -112.64 117.34 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 75.03 110.351 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -43.98 104.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 73.42 110.263 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.464 HD22 ' N ' ' A' ' 947' ' ' LEU . 2.4 t30 -153.01 123.16 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 72.34 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -7.82 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 75.24 109.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.68 -13.21 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 61.42 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -102.2 -57.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.43 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 71.32 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 973' ' ' VAL . 8.3 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.263 -0.273 . . . . 60.05 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.517 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -111.79 158.39 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 75.42 109.27 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -103.79 -25.51 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 61.41 109.314 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.33 -139.96 6.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 71.42 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.87 141.19 51.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 73.11 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 939' ' ' TYR . 9.3 pt -99.14 135.28 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.43 109.324 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 24.7 pt -137.64 146.71 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 75.34 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.81 -177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.31 108.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -62.55 -48.98 77.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.3 109.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.3 m -56.51 -31.1 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 74.25 108.303 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 108.94 41.95 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 55.33 111.047 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 16.7 tp60 -106.15 122.54 46.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 73.24 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 986' ' ' ASN . . . -51.78 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 51.42 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.3 m0 -82.22 -27.26 32.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.21 108.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 164.43 -117.43 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 62.14 111.033 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' THR . . . . . 0.434 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -156.49 172.73 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 74.23 110.427 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.431 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 26.4 tpp -116.51 93.83 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.35 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.2 mtp -81.82 153.46 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 71.33 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 955' ' ' GLN . 16.4 t -124.86 150.5 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 75.41 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 979' ' ' LEU . 2.0 t-80 -143.13 102.28 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 72.31 109.64 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.41 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 28.5 mttt 65.65 21.38 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 73.35 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.88 -0.75 57.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 63.34 110.973 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.64 161.34 25.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 75.34 109.292 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.414 ' N ' HD12 ' A' ' 977' ' ' LEU . 73.3 m-20 -105.82 114.8 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 53.4 109.322 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.31 97.74 10.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.34 109.307 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.425 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.04 146.36 32.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.538 1.809 . . . . 72.33 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.96 101.84 7.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 75.43 108.274 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.2 OUTLIER -74.12 168.0 20.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 71.02 109.278 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 21.3 mttm -131.72 118.25 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 75.23 109.312 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.573 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -61.43 -19.69 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.31 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 3.4 ptm180 -71.97 -13.48 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 74.11 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 64.9 m-20 -119.95 -1.19 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 72.41 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.418 ' HB2' ' HA ' ' A' ' 984' ' ' ILE . 6.6 m-85 -116.52 -176.23 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 70.53 111.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 908' ' ' LYS . 22.0 t -142.5 155.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 75.05 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.78 121.1 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.13 109.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -116.49 117.15 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.35 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.17 135.38 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.12 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 71.23 109.273 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.267 -0.642 . . . . 74.33 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -104.99 129.26 53.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.01 109.321 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -109.45 108.46 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 63.21 110.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.465 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 89.8 m-85 -99.14 -171.21 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.05 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.495 ' CA ' HG23 ' A' ' 984' ' ' ILE . 13.8 pttp -128.52 -45.24 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 74.43 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 20.1 mmtp -117.63 150.65 38.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 73.23 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.7 m95 -67.31 -21.32 65.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.993 -1.114 . . . . 72.43 107.993 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1004 ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 1.4 p -69.45 -25.69 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.42 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.41 -20.14 62.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.04 110.356 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.77 113.8 20.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.41 109.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.48 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.1 Cg_endo -75.01 1.18 8.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 64.12 111.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.1 mp -86.91 133.11 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.15 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.7 m -78.85 132.21 36.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.32 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -108.7 165.78 12.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 64.04 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 62.13 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' 1007 ' ' PRO . 4.7 m120 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 75.13 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 126.85 12.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 73.44 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.424 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.3 Cg_endo -74.95 0.91 8.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 62.25 111.039 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.7 t -85.6 -26.07 26.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 75.31 109.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.5 OUTLIER -86.77 -25.46 24.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 75.13 109.301 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 991' ' ' PHE . 0.5 OUTLIER -99.69 153.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.55 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.521 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.6 158.93 43.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 71.2 110.414 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.49 137.89 38.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 74.33 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.447 ' CD1' HG22 ' A' ' 990' ' ' VAL . 0.9 OUTLIER -132.87 176.84 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.34 109.329 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.1 t -91.47 117.79 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.021 -0.991 . . . . 62.33 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -49.34 -59.07 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 74.51 109.303 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -45.71 -61.2 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 73.33 109.301 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 911' ' ' SER . 82.0 m -95.93 -100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.41 108.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.2 t 154.26 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 64.22 110.0 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.17 133.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.24 109.272 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.521 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -64.95 107.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 75.32 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -86.88 -35.67 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.41 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -178.16 163.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.24 108.359 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.454 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.96 156.06 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.04 109.992 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.52 -47.7 36.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 42.5 110.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 6.8 pt-20 -60.95 -26.84 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 75.33 110.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.5 t0 -93.27 28.77 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 73.52 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.23 157.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 75.14 109.264 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -120.54 168.85 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.03 109.617 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.23 109.29 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.363 -0.606 . . . . 71.13 109.363 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -95.77 95.79 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.43 109.275 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.9 mmt -85.93 47.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.11 110.976 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.7 OUTLIER -104.72 125.28 34.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 72.22 110.413 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.2 Cg_endo -74.94 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 75.5 110.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -34.53 71.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 75.14 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 69.5 t80 -61.25 -18.73 59.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.2 110.997 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.2 ptpt -67.78 -16.38 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.21 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.68 0.55 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 74.32 110.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 935' ' ' PHE . 8.0 mt -107.39 -25.79 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.11 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -114.48 149.42 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.31 110.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.7 137.3 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.22 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 960' ' ' ILE . 2.2 t -99.04 134.65 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.33 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.449 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.2 OUTLIER -114.9 131.66 56.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.13 110.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.69 104.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 65.33 110.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.2 t30 -152.92 128.46 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 72.22 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -96.65 -7.32 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.04 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.13 -12.88 43.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 53.01 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.27 -75.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.42 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.537 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 75.53 110.279 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' A' ' 956' ' ' ILE . 19.9 tp60 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.299 -0.259 . . . . 75.3 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -103.36 153.96 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 75.01 109.29 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -113.83 -15.64 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 74.54 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.97 -140.84 7.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 71.41 110.986 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.29 146.84 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 71.12 110.298 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 939' ' ' TYR . 10.9 pt -102.49 134.13 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 75.13 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 27.3 pt -138.22 145.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.51 109.29 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.3 -174.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.262 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -61.16 -51.38 69.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 73.44 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.0 m -56.02 -35.1 66.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 62.25 108.257 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.64 39.4 1.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 50.34 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -97.83 119.89 37.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 63.43 110.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.461 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -51.65 95.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.33 109.267 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.655 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.1 m0 -71.31 -30.68 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.41 107.972 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.82 -122.27 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 71.41 111.018 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.09 153.66 36.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 72.02 110.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.422 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 20.5 tpp -97.27 90.98 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 73.23 111.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 12.8 mtp -82.65 156.0 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.32 110.975 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 14.3 t -124.68 148.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 74.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.5 t-80 -137.83 104.23 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 70.3 109.584 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 9.0 mmtm 61.91 21.28 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.4 109.259 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 101.22 -2.54 54.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 73.21 110.974 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.429 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 1.6 tt -79.32 166.9 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 72.14 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -109.97 115.41 29.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.53 109.258 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.439 HD11 ' CB ' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -132.3 96.56 19.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.32 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.422 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.02 117.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 75.32 110.981 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.79 103.81 15.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.54 108.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.56 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -84.2 169.12 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 73.22 109.314 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 22.1 mttt -131.54 121.83 25.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 74.21 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.564 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -58.57 -21.11 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.05 109.284 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -71.0 -6.48 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 71.22 110.292 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.9 m-20 -124.13 -1.5 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 71.33 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.655 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 27.5 m-85 -121.22 -176.2 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.52 110.985 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.37 159.09 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.11 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.88 114.58 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 74.55 109.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 906' ' ' LEU . 3.0 t -114.06 123.62 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 74.41 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 903' ' ' ILE . 62.5 m-85 -80.5 139.06 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 71.42 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 902' ' ' LEU . 24.9 ttpp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 73.54 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.321 -0.622 . . . . 65.41 109.321 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.57 130.29 54.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.52 109.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.13 110.83 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 74.41 110.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.482 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.1 m-85 -102.88 -172.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.11 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.476 ' CA ' HG23 ' A' ' 984' ' ' ILE . 53.4 pttt -125.69 -48.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 75.44 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 21.1 mttm -118.97 157.59 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 70.31 109.343 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.564 ' CE3' HG13 ' A' ' 984' ' ' ILE . 20.2 m95 -69.72 -24.97 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 72.41 107.995 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.8 p -60.57 -21.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 63.11 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.73 -26.16 44.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.35 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' 1010 ' ' PHE . 6.9 tp -60.29 110.95 3.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.42 109.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.93 -0.89 10.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 71.22 111.027 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -93.48 130.73 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 70.25 109.266 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.5 t -66.64 158.61 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 72.45 110.41 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' 1006 ' ' LEU . 7.5 m-85 -129.71 165.74 30.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 75.41 111.047 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.31 111.005 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.8 m120 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.257 -0.645 . . . . 74.42 109.257 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -145.23 126.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 70.12 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -74.97 1.91 7.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 72.33 111.048 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 29.2 t -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.12 110.009 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.54 -25.35 20.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 73.43 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -97.5 157.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.511 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.5 158.83 44.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 73.44 110.379 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.5 m-30 -100.35 139.23 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.52 111.047 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' A' ' 990' ' ' VAL . 0.7 OUTLIER -133.25 177.39 7.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 72.14 109.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 47.6 t -89.84 123.73 34.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.978 -1.01 . . . . 75.24 110.884 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.57 -59.5 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 72.13 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -46.53 -59.81 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.14 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.6 m -97.02 -101.14 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 72.42 108.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.5 OUTLIER 154.46 41.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 62.14 110.019 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.06 133.72 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 72.52 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.511 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.35 106.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 72.03 109.287 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.433 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.33 -35.71 19.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 75.23 109.359 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -176.74 165.51 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 74.1 108.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 60.4 p -108.63 157.11 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.4 109.942 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.87 -52.29 43.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 52.34 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.427 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.1 pp20? -55.17 -28.95 56.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 72.31 110.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.39 28.06 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.23 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.45 150.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.24 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -114.94 178.66 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.53 109.608 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 65.31 109.31 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.317 -0.623 . . . . 71.52 109.317 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.463 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 65.2 t30 -99.45 96.01 7.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 74.13 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.1 mtt -83.07 47.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.13 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.94 127.2 28.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 71.14 110.442 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.36 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 75.43 111.027 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.1 -34.55 66.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.22 110.277 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 64.9 t80 -59.29 -21.52 59.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 74.3 110.986 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.599 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -64.62 -16.16 62.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 72.41 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.3 5.87 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.11 110.281 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.55 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 8.0 mt -113.2 -14.57 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.24 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -127.65 149.48 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.4 111.009 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.4 mt -124.09 138.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.52 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' ' 960' ' ' ILE . 2.1 t -104.99 129.25 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 75.45 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -103.25 143.56 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 75.23 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.46 104.61 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 75.22 110.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.472 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.5 t30 -154.44 130.13 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.33 109.243 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -96.63 -8.17 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.01 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.24 -13.33 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 52.43 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.472 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -102.79 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.11 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.527 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 75.24 110.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.503 HE22 ' NE2' ' A' ' 948' ' ' GLN . 7.6 tp60 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.318 -0.253 . . . . 72.42 110.318 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.527 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -118.15 157.08 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.22 109.268 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -99.45 -27.08 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 74.04 109.312 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.09 -137.52 5.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 74.24 111.009 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -125.02 135.21 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 73.21 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.543 HG22 ' CD1' ' A' ' 939' ' ' TYR . 20.3 pt -93.52 138.18 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 71.3 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 15.6 pt -138.81 149.4 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 74.51 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.73 -174.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 75.31 108.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -62.55 -51.42 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 70.35 109.294 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 11.8 m -56.02 -32.7 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.44 108.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 109.89 39.68 1.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 71.04 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -97.35 124.71 41.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 74.21 110.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.458 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -55.28 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.53 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.706 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.3 m0 -67.79 -42.67 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.43 108.03 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 175.62 -118.85 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 72.11 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.81 164.1 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 65.4 110.404 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.466 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 27.6 tpp -109.54 97.09 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.13 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 15.0 mtp -81.73 153.18 26.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.33 111.023 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 955' ' ' GLN . 12.8 t -121.39 151.42 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 71.34 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -136.8 92.56 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.22 109.6 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm 61.08 23.77 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.12 109.27 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.16 -1.09 33.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.464 1.103 . . . . 63.15 111.0 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 978' ' ' ASP . 1.0 OUTLIER -79.07 167.39 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.805 . . . . 75.44 109.311 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.424 ' N ' HD21 ' A' ' 977' ' ' LEU . 2.4 m-20 -117.87 119.58 35.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 73.24 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -138.43 96.26 9.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.33 109.315 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.427 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 75.11 110.963 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.13 111.67 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 70.21 108.309 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.565 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.3 mp -98.5 145.32 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.52 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.1 OUTLIER -106.26 126.02 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.23 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.569 HD13 ' CE3' ' A' 1003 ' ' TRP . 1.3 mt -59.15 -26.85 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.42 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.494 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -66.88 -7.61 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 74.32 110.285 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.7 m-20 -117.95 -5.77 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 62.41 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.706 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 26.6 m-85 -121.29 -176.09 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 73.32 110.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . 0.407 HG23 ' NE2' ' A' ' 999' ' ' GLN . 13.3 t -137.34 162.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.32 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' 1000 ' ' TYR . 2.8 t -120.73 123.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 64.55 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 906' ' ' LEU . 1.2 t -115.0 122.57 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 74.24 109.298 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.452 ' CD1' HG22 ' A' ' 903' ' ' ILE . 51.2 m-85 -90.04 117.33 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 72.55 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 73.22 109.285 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 72.42 109.291 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.07 169.81 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.53 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . 0.407 ' NE2' HG23 ' A' ' 988' ' ' VAL . 14.5 tt0 -136.08 106.96 6.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 73.02 110.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.483 ' CD1' HG22 ' A' ' 989' ' ' VAL . 74.2 m-85 -95.63 -173.09 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 75.43 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.469 ' CA ' HG23 ' A' ' 984' ' ' ILE . 37.5 pttt -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.43 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 14.6 mttm -119.97 158.37 26.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.01 109.332 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.569 ' CE3' HD13 ' A' ' 984' ' ' ILE . 38.0 m95 -69.17 -19.84 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 75.53 108.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.3 p -69.92 -24.85 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 73.31 109.292 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.03 -18.44 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 74.53 110.301 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.71 115.29 31.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 62.32 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -1.36 11.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.33 110.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -90.84 133.57 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 75.41 109.279 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.2 t -70.63 152.93 43.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 75.55 110.38 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -133.18 164.12 46.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.55 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.44 110.982 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' 1007 ' ' PRO . 11.9 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 71.33 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.82 129.19 24.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 73.44 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.422 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -75.03 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 51.21 110.981 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.2 t -84.64 -23.6 29.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 74.34 110.038 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -28.86 21.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 73.1 109.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -96.47 152.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.22 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.507 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.06 160.02 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 74.43 110.404 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.523 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.2 m-30 -100.79 141.12 34.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.31 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 987' ' ' PHE . 0.8 OUTLIER -135.65 176.32 8.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 73.22 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.3 t -91.37 120.56 32.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.99 -1.004 . . . . 60.23 110.92 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -51.31 -60.37 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 73.31 109.285 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -45.65 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 72.22 109.29 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.1 m -97.92 -100.46 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.21 108.259 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.3 t 153.15 42.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 70.14 110.034 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.97 130.8 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 74.5 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.507 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -60.69 107.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 73.11 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.84 -34.61 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 73.15 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.78 160.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 72.31 108.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.463 ' CB ' HG22 ' A' ' 904' ' ' THR . 0.7 OUTLIER -105.52 157.5 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 63.33 110.036 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.0 -45.52 56.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 73.41 111.007 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 0.3 OUTLIER -63.05 -28.77 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 0.763 . . . . 63.45 110.324 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.14 31.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 71.32 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.523 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.57 144.42 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 75.31 109.363 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -111.7 148.92 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 75.43 109.624 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 73.1 109.303 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 75.13 109.261 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.447 ' ND2' ' CG ' ' A' ' 935' ' ' PHE . 59.0 t30 -99.55 95.42 6.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 75.43 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 9.1 mtt -83.98 47.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.04 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 1.2 m -109.85 126.77 28.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 72.12 110.43 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 74.45 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.83 -24.89 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.21 110.244 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.447 ' CG ' ' ND2' ' A' ' 930' ' ' ASN . 67.2 t80 -75.82 -21.46 57.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.54 111.011 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 9.2 ptpt -64.67 -14.41 58.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 72.01 109.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.81 5.73 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.01 110.314 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.598 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 5.4 mt -113.91 -13.46 12.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 75.1 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.639 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -124.01 149.3 46.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.04 110.969 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.93 139.51 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 74.54 109.272 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 960' ' ' ILE . 2.2 t -108.67 138.68 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 73.43 109.276 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.471 ' NE ' ' CD1' ' A' ' 961' ' ' ILE . 0.0 OUTLIER -113.28 147.68 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 72.22 110.324 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.32 104.9 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 72.3 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.9 t30 -155.87 131.72 9.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 72.21 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -96.67 -9.21 29.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.42 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -61.7 -14.39 31.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 71.53 109.278 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.4 mm? -103.67 -76.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.45 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.549 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 75.01 110.269 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.542 HE22 ' NE2' ' A' ' 948' ' ' GLN . 9.2 tp60 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.255 -0.276 . . . . 75.52 110.255 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.549 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -106.0 158.22 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.32 109.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -103.98 -24.58 13.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 74.4 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.23 6.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 71.21 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -120.37 136.08 54.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 74.43 110.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 939' ' ' TYR . 5.9 pt -96.54 134.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 74.32 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.471 ' CD1' ' NE ' ' A' ' 942' ' ' ARG . 33.7 pt -136.76 150.95 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.22 109.247 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.62 -174.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 75.0 108.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 4.2 mmmm -60.66 -52.03 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 75.14 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.77 -38.13 66.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 65.21 108.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 116.76 30.9 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 52.21 110.982 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -87.02 127.91 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 65.04 110.282 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -58.02 94.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 73.04 109.365 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 5.3 m0 -69.81 -44.31 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.12 108.031 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.41 -116.45 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 64.12 110.99 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' THR . . . . . 0.472 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.9 OUTLIER -152.99 166.0 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 74.21 110.346 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 21.1 tpp -112.84 102.35 10.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.43 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 26.3 mtp -84.84 159.54 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.03 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 955' ' ' GLN . 25.4 t -122.77 147.67 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 71.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -133.75 90.5 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 62.24 109.554 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 975' ' ' LYS . 3.3 mtmp? 60.92 23.9 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.03 109.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 109.37 -3.78 31.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 64.43 110.978 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.5 tt -79.01 167.34 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 75.42 109.306 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -115.12 118.9 34.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 73.03 109.307 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -131.28 96.21 22.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.4 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.429 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 113.75 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.54 111.045 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.25 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.2 108.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -97.78 157.7 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 71.52 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.429 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 8.2 mttt -118.5 122.33 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.42 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.576 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -60.39 -17.74 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 75.45 109.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.5 -12.28 61.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.45 110.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 70.3 m-20 -119.36 -4.26 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.33 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.556 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 23.0 m-85 -116.36 -176.05 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.4 111.04 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.1 t -139.16 158.28 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 62.23 109.292 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.41 119.18 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 73.23 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.467 ' CG2' ' NZ ' ' A' ' 997' ' ' LYS . 3.0 t -116.5 124.34 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.24 109.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -82.28 137.56 34.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.41 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.34 109.311 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . 0.467 ' NZ ' ' CG2' ' A' ' 990' ' ' VAL . 8.4 ttmm . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 70.12 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.82 146.12 30.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 61.22 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -124.17 110.52 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.23 110.333 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.2 m-85 -102.26 -169.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.44 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.472 ' CA ' HG21 ' A' ' 984' ' ' ILE . 15.3 pttp -125.84 -47.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.33 109.283 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 32.3 mttt -121.17 157.88 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 72.1 109.267 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.576 ' CE3' HG13 ' A' ' 984' ' ' ILE . 27.6 m95 -69.83 -24.71 63.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.34 108.003 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.7 p -61.43 -24.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 65.31 109.235 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -74.14 -26.48 60.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 75.31 110.333 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.27 110.86 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 73.32 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.04 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 74.41 111.009 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.499 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.43 139.78 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 73.13 109.26 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -75.26 158.58 32.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.24 110.407 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -137.96 166.29 27.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.42 111.003 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.52 111.0 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.308 -0.627 . . . . 73.42 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -125.14 124.11 25.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.33 109.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 0.99 8.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 63.52 110.995 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 27.4 t -86.36 -25.55 25.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 75.52 110.025 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -23.88 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.51 109.248 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -98.65 156.49 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.25 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.508 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.7 157.88 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.14 110.363 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.3 m-30 -100.24 140.25 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 72.53 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.92 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 75.03 109.3 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -88.84 126.34 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.998 -1.001 . . . . 73.42 110.893 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -55.68 -61.1 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 73.01 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -45.49 -57.34 4.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 109.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 911' ' ' SER . 77.9 m -99.96 -102.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.32 108.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.6 m 155.65 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.3 109.969 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.25 131.28 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.13 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.508 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -59.25 107.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 72.05 109.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.439 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -35.17 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 72.53 109.327 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 914' ' ' ALA . 1.0 OUTLIER -179.44 160.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 63.33 108.279 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 46.7 p -104.26 158.12 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 74.43 109.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -50.32 -51.92 29.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 64.02 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.8 pt-20 -60.42 -25.39 65.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 74.41 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.83 28.18 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 72.23 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.573 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.8 mm -133.18 148.87 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 75.02 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -118.77 156.95 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 63.22 109.611 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 64.3 109.268 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 71.21 109.293 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.418 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 67.2 t30 -101.22 96.08 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 74.12 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 10.3 mtt -83.49 47.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 75.34 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.6 OUTLIER -103.96 124.95 35.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 70.15 110.418 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . 0.462 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -74.99 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.445 1.76 . . . . 75.21 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -59.94 -27.18 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 74.12 110.26 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.56 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 80.5 t80 -70.19 -19.29 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.42 110.963 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 5.2 ptpt -65.68 -17.23 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.42 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.9 4.33 31.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 71.22 110.315 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.553 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 18.6 mt -109.0 -12.52 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.32 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -126.5 148.98 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.25 111.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.47 135.94 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.53 109.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -98.35 127.5 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.22 109.272 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -105.66 121.55 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 75.11 110.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -42.85 104.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 72.31 110.341 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.436 ' ND2' HD21 ' A' ' 947' ' ' LEU . 1.7 t30 -154.74 115.88 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.43 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -90.25 -7.48 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 63.14 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -66.43 -10.07 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 74.11 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.436 HD21 ' ND2' ' A' ' 944' ' ' ASN . 1.2 mm? -105.3 -59.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.14 109.286 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.52 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 73.3 110.272 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 973' ' ' VAL . 19.7 tp60 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.319 -0.252 . . . . 73.44 110.319 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.52 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -107.08 158.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 73.42 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -104.18 -24.71 13.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 73.33 109.312 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 163.15 -142.33 7.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 72.23 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -122.39 134.9 54.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 0.798 . . . . 74.02 110.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.553 HG23 ' CD1' ' A' ' 939' ' ' TYR . 7.0 pt -95.34 130.09 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 74.04 109.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.7 pt -132.59 148.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 75.14 109.263 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -65.84 -174.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 60.31 108.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.2 mmmm -59.48 -51.98 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 64.04 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.74 -38.02 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.2 108.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.03 32.55 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 73.33 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 968' ' ' TRP . 27.8 tp60 -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 70.44 110.235 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -54.34 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 71.23 109.254 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.702 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -66.33 -42.97 87.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 72.32 108.025 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 176.65 -117.33 0.59 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 62.2 110.983 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.84 161.73 41.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 75.42 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.435 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 26.1 tpp -105.45 94.78 5.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.04 111.014 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 10.1 mtp -81.89 155.24 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 73.22 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 14.8 t -127.64 148.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 74.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.45 ' ND1' ' C ' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -136.57 102.09 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 74.23 109.628 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.22 22.59 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.52 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.84 1.7 49.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 63.45 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.453 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 11.1 tp -79.38 166.64 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 72.15 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -114.95 115.48 26.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 71.33 109.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.25 96.58 11.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 74.22 109.269 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.406 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -75.01 120.21 5.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 73.13 111.034 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.8 112.75 24.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.3 108.288 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.2 mp -99.93 145.54 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.02 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.3 OUTLIER -107.75 126.63 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 73.04 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.57 HD12 ' CE3' ' A' 1003 ' ' TRP . 1.6 mt -58.71 -28.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 75.54 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.5 ptt-85 -64.6 -8.67 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 74.44 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -117.77 -3.35 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.14 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.702 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.5 m-85 -123.82 -176.27 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.42 111.049 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.79 162.33 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 73.34 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' 1000 ' ' TYR . 3.1 t -119.3 129.3 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.55 109.319 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 906' ' ' LEU . 0.9 OUTLIER -121.1 119.29 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.53 109.37 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.461 ' CD1' HG23 ' A' ' 903' ' ' ILE . 72.6 m-85 -89.42 124.83 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 75.23 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 73.42 109.321 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 990' ' ' VAL . 7.2 ttmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.278 -0.638 . . . . 75.51 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -107.68 163.99 12.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 64.33 109.317 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -128.82 108.92 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 74.3 110.36 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.465 ' CD1' HG23 ' A' ' 989' ' ' VAL . 87.9 m-85 -99.68 -173.21 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.32 111.013 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.471 ' CA ' HG23 ' A' ' 984' ' ' ILE . 39.1 pttt -125.12 -49.89 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 74.53 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1002 ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' 1001 ' ' LYS . 53.9 mttt -118.54 158.91 24.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 73.33 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.57 ' CE3' HD12 ' A' ' 984' ' ' ILE . 33.8 m95 -70.06 -21.37 63.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.027 -1.101 . . . . 75.41 108.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.2 p -67.46 -26.12 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 64.35 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.53 110.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.48 113.96 24.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 75.25 109.302 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 70.34 110.986 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.439 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -91.13 131.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.22 109.279 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -65.54 157.92 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 75.15 110.395 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -134.66 161.39 63.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.23 111.031 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 74.54 111.015 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 26.0 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.309 -0.626 . . . . 74.12 109.309 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.73 126.31 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 74.55 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.5 Cg_endo -74.9 -0.3 9.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.41 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -83.04 -27.18 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.41 109.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.93 -23.68 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.23 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.02 155.54 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 73.1 109.297 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.52 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.11 160.01 42.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 71.42 110.381 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.565 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.4 m-30 -100.08 139.6 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 111.017 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 990' ' ' VAL . 1.0 OUTLIER -134.0 176.47 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 75.21 109.341 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.9 t -91.71 122.1 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 74.52 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -53.14 -58.47 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.12 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -47.37 -58.42 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 72.03 109.324 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -98.45 -100.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 73.35 108.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.7 OUTLIER 153.55 42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 55.22 110.004 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.54 135.24 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.13 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.52 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -64.95 106.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.15 109.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -87.41 -34.8 18.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 70.3 109.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.87 161.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 73.44 108.266 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.414 ' CB ' HG22 ' A' ' 904' ' ' THR . 6.0 t -106.24 161.64 14.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.52 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -55.15 -50.12 60.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 53.3 110.974 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -58.31 -23.49 56.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 73.32 110.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.2 27.87 3.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.41 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -132.94 156.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.5 -179.31 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.23 109.635 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' 1010 ' ' PHE . 40.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 74.33 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.276 -0.639 . . . . 74.2 109.276 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -94.29 95.73 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.23 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.7 mmt -83.49 47.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 74.53 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.495 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 122.3 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 51.23 110.389 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.73 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 75.54 111.015 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.88 -33.84 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.03 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 73.8 t80 -60.05 -20.42 57.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.24 111.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 8.3 ptpt -66.04 -14.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.25 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -105.01 4.57 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 74.34 110.258 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 935' ' ' PHE . 11.3 mt -109.68 -20.32 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 63.24 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -118.27 151.01 38.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 70.44 111.006 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.62 136.21 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 73.22 109.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -94.08 131.86 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 73.04 109.327 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.436 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.4 OUTLIER -110.04 119.69 40.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 73.12 110.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.87 104.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.4 110.274 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.489 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.5 t30 -156.28 115.4 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.41 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -86.61 -8.75 57.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 75.2 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.44 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.34 109.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -104.67 -60.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 75.35 109.255 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.499 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 72.44 110.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 973' ' ' VAL . 36.6 tp60 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.267 -0.271 . . . . 75.44 110.267 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.499 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -112.18 157.6 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 72.15 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -101.55 -25.88 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.1 109.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.54 -138.26 5.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 73.52 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.97 130.64 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 74.21 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 939' ' ' TYR . 13.1 pt -88.02 129.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.54 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -132.45 144.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.52 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.39 -175.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 60.32 108.284 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -61.76 -51.14 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 63.12 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.45 -35.2 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 71.22 108.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 113.47 37.17 1.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 70.45 110.967 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -96.56 121.43 38.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 64.34 110.345 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -53.8 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 63.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.0 m0 -69.38 -36.8 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 74.01 107.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 171.4 -126.6 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 74.12 111.0 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.82 150.48 34.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 72.3 110.37 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.415 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 22.4 tpp -97.04 95.94 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 63.12 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 17.5 mtp -81.92 153.39 26.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 73.21 111.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 3.6 t -132.06 138.98 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.44 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . 0.509 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -126.39 100.32 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 71.15 109.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 2.2 mtmp? 60.28 22.56 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.52 109.322 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.33 37.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 73.45 110.968 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.493 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 15.4 tp -79.8 166.54 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 73.21 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -121.36 105.6 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 61.41 109.256 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.07 96.81 17.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 73.24 109.296 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 75.21 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.06 106.52 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.34 108.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.1 mp -89.01 165.67 14.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 72.13 109.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.2 mttt -125.31 121.88 35.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 70.2 109.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.554 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -60.41 -17.21 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.42 109.351 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.14 -11.84 60.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 74.31 110.305 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.1 m-20 -118.45 -2.97 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 74.05 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.57 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.6 m-85 -118.15 -176.66 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.43 111.037 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.1 t -138.97 158.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.25 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -122.73 119.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.51 109.238 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 906' ' ' LEU . 2.3 t -114.92 122.31 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 75.53 109.276 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.485 ' CD1' HG22 ' A' ' 903' ' ' ILE . 42.1 m-85 -83.46 135.64 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.32 111.017 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.41 109.296 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 75.4 109.302 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.35 129.19 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.13 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -106.81 111.23 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 73.44 110.356 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.5 m-85 -101.79 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.45 111.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.47 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.5 pttt -128.86 -46.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 74.2 109.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 156.97 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 74.23 109.316 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.554 ' CE3' HG13 ' A' ' 984' ' ' ILE . 38.3 m95 -68.56 -25.13 64.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 74.43 107.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.9 p -63.02 -31.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.43 109.311 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.24 -21.84 65.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.22 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.34 113.76 22.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 71.03 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 63.04 110.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.45 ' HA ' ' ND2' ' A' ' 898' ' ' ASN . 1.0 OUTLIER -86.79 132.54 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 75.21 109.313 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -73.89 139.7 45.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 71.4 110.389 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.43 ' HB3' ' CG2' ' A' ' 922' ' ' VAL . 15.6 m-85 -110.31 165.9 11.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 75.15 111.018 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 73.11 110.965 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 898' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.8 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.284 -0.635 . . . . 71.32 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -106.49 127.0 29.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 71.23 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 900' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.3 Cg_endo -75.04 0.34 9.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 71.11 111.023 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.6 t -84.57 -25.43 28.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 71.33 109.993 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -22.96 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.01 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 903' ' ' ILE . . . . . 0.509 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -102.29 150.63 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.33 109.299 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 904' ' ' THR . . . . . 0.524 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.29 162.51 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 75.23 110.415 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.7 m-30 -99.06 140.86 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.3 110.964 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.8 OUTLIER -134.55 171.77 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 75.42 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.6 t -89.79 119.47 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.98 -1.009 . . . . 61.23 110.892 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -50.75 -56.5 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.24 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.01 -58.72 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 72.41 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 910' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 911' ' ' SER . 76.0 m -99.71 -102.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 71.24 108.238 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 911' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.9 t 157.71 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 72.02 110.013 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.27 134.76 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 74.4 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.524 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -65.62 107.82 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 74.32 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 914' ' ' ALA . . . . . 0.438 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.24 -35.61 18.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.22 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.97 163.87 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.33 108.304 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 75.14 110.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.33 -47.89 66.62 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.442 1.089 . . . . 54.43 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -60.51 -22.68 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 75.15 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.63 31.1 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 44.44 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 920' ' ' ILE . . . . . 0.524 HG13 ' CE2' ' A' ' 905' ' ' PHE . 3.1 mm -133.5 155.75 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.42 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -118.06 164.08 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 74.45 109.582 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 922' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' 1010 ' ' PHE . 4.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.13 109.301 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 72.42 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 930' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 60.0 t30 -105.12 95.96 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 72.01 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.89 47.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 63.11 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 932' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 930' ' ' ASN . 0.6 OUTLIER -106.39 125.13 33.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 63.05 110.391 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.28 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 72.5 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -56.41 -27.29 56.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.33 110.314 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 935' ' ' PHE . . . . . 0.472 ' CZ ' HD12 ' A' ' 982' ' ' LEU . 33.2 t80 -65.01 -24.67 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.24 111.01 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.57 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.6 ptpt -63.8 -15.74 59.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 71.35 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -105.12 2.4 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.53 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.425 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.6 mt -111.17 -20.33 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.23 109.279 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -123.32 150.21 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 64.03 110.977 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.04 137.1 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 72.03 109.338 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.27 134.62 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 75.3 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 122.41 47.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 71.33 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -49.72 104.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.21 110.262 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.7 t30 -153.4 130.34 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 65.11 109.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.408 ' CB ' ' NZ ' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -96.65 -7.91 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.2 109.26 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.11 -13.66 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 75.13 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 947' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.8 mm? -103.39 -77.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 73.42 109.251 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 948' ' ' GLN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 74.22 110.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 955' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 973' ' ' VAL . 15.5 tm0? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.334 -0.247 . . . . 75.31 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 956' ' ' ILE . . . . . 0.505 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -118.33 155.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 65.41 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -99.71 -26.58 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 72.31 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.61 -137.77 5.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 73.44 111.046 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -125.51 129.82 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 73.1 110.323 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 960' ' ' ILE . . . . . 0.561 HG21 ' CE1' ' A' ' 939' ' ' TYR . 5.8 pt -86.48 136.74 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 71.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 961' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 22.6 pt -137.16 145.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 71.51 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.3 p -62.04 -174.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.05 108.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 963' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 2.3 mmmm -59.11 -51.63 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 72.34 109.324 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.77 -40.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.12 108.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 119.23 31.88 1.34 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.553 1.158 . . . . 75.21 110.973 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -90.2 121.74 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 54.3 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 967' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 986' ' ' ASN . . . -50.63 98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 63.24 109.324 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 968' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 3.9 m0 -73.73 -36.89 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 71.1 108.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . 0.466 ' HA2' ' CE ' ' A' ' 983' ' ' LYS . . . 174.28 -126.94 1.25 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 71.03 110.991 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.68 152.88 39.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 74.31 110.42 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 18.3 tpp -97.39 92.54 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.25 111.022 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.2 mtp -81.82 149.19 28.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.11 111.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 955' ' ' GLN . 6.4 t -123.2 150.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 71.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -140.1 101.53 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 74.43 109.641 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 975' ' ' LYS . 5.2 mtmp? 60.65 24.66 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 65.23 109.298 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.13 -0.21 56.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 72.34 110.975 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 0.8 OUTLIER -79.35 164.13 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 73.33 109.276 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . 0.424 ' N ' HD13 ' A' ' 977' ' ' LEU . 1.0 OUTLIER -112.68 119.78 39.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.44 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -140.21 96.41 8.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.12 109.276 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.96 8.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 75.33 111.05 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.07 103.79 13.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.44 108.272 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.4 OUTLIER -76.9 164.64 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 74.23 109.313 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' LYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 24.0 mttt -129.65 117.21 20.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 75.32 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' ILE . . . . . 0.581 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.5 mt -58.12 -23.3 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 72.22 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.482 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.1 OUTLIER -69.97 -5.94 29.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.32 110.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.6 m-20 -128.13 2.42 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 74.31 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 16.7 m-85 -123.0 -175.87 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.32 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 159.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 71.13 109.297 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 989' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.89 119.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.25 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 990' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -117.84 119.87 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.14 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 991' ' ' PHE . . . . . 0.509 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -81.69 136.93 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.42 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 71.31 109.322 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.236 -0.653 . . . . 71.04 109.236 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.02 159.44 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 74.42 109.269 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -134.64 108.08 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.54 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1000 ' ' TYR . . . . . 0.537 ' CD1' HG22 ' A' ' 989' ' ' VAL . 39.8 m-85 -95.79 -176.11 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 72.11 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1001 ' ' LYS . . . . . 0.442 ' CA ' HG21 ' A' ' 984' ' ' ILE . 1.7 pttm -120.23 -49.16 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 71.41 109.245 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 158.83 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.41 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1003 ' ' TRP . . . . . 0.581 ' CE3' HG13 ' A' ' 984' ' ' ILE . 56.3 m95 -70.75 -18.77 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.34 107.968 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.3 p -70.53 -30.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.21 109.284 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -66.34 -23.92 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 65.4 110.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.3 113.07 13.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 73.12 109.293 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1007 ' ' PRO . . . . . 0.486 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.01 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 74.42 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1008 ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -86.61 131.51 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 75.52 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -72.78 153.96 40.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.33 110.376 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1010 ' ' PHE . . . . . 0.41 ' HB3' ' CG2' ' A' ' 922' ' ' VAL . 9.3 m-85 -128.11 165.99 26.97 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 75.53 111.023 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 74.03 110.975 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.964 -0.855 . . . . 63.41 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -69.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 73.31 110.989 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.72 50.0 17.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.23 109.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -109.93 -178.34 21.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.153 . . . . 53.05 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 37.8 t -118.16 -73.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 74.44 110.033 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -118.27 160.06 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.33 111.028 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . 0.628 ' NZ ' ' CE1' ' A' ' 991' ' ' PHE . 4.9 ttpp -134.45 13.1 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 74.33 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 28.1 t-20 -92.25 21.43 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 74.43 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -106.65 126.91 29.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.02 109.286 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.99 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 75.03 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.8 t -83.9 -25.83 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.41 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.416 HD11 ' ND2' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -89.01 -23.6 22.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 72.33 109.311 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.522 HG23 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -99.66 156.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.34 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.506 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.91 160.0 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 62.51 110.391 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.85 139.94 34.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 72.13 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.47 ' CD1' HG23 ' A' ' 990' ' ' VAL . 1.1 mt -134.18 175.89 9.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 62.34 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -91.33 121.7 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.948 -1.024 . . . . 75.33 110.949 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -52.61 -59.87 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 74.14 109.297 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -45.86 -58.41 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.44 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.14 -101.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 74.53 108.27 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.56 42.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 75.15 109.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.73 134.37 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.15 109.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.506 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.98 106.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 72.03 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -86.15 -35.52 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 75.42 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.12 168.96 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 72.41 108.281 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 5.1 m -108.7 158.45 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 71.31 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.55 88.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 73.03 110.958 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.3 pt-20 -65.29 -24.49 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 72.15 110.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -93.06 30.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.52 109.29 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.37 152.34 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 73.45 109.355 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' 1013 ' ' LEU . 14.4 m80 -118.95 156.65 29.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 71.42 109.613 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.0 t -118.13 153.45 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 72.23 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' 1013 ' ' LEU . 13.4 mm -126.1 107.47 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.33 109.288 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.419 ' CB ' ' HE3' ' A' ' 926' ' ' MET . 22.3 mt-10 53.29 21.47 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 75.23 110.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 1.0 OUTLIER 51.06 24.41 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 75.23 109.301 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.419 ' HE3' ' CB ' ' A' ' 924' ' ' GLU . 7.7 ptp -119.03 -35.14 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 72.21 111.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -121.89 134.47 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 75.5 109.59 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.54 ' CD2' ' CD1' ' A' 1003 ' ' TRP . 0.8 OUTLIER -101.52 109.08 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.44 109.587 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.4 m -116.08 133.23 63.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 73.44 109.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 4.6 t-20 -97.49 96.74 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.13 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 57.1 mmm -83.27 46.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 74.32 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 935' ' ' PHE . 0.4 OUTLIER -106.29 121.27 45.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 74.13 110.422 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 73.41 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.97 -29.09 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 72.21 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.448 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 70.6 t80 -66.4 -21.55 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.42 110.965 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.94 -15.23 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.35 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.17 6.06 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 75.34 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.52 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 7.5 mt -112.27 -13.36 13.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.31 109.269 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -126.64 150.39 48.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.35 111.002 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.65 137.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 71.44 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.69 134.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 75.24 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.2 OUTLIER -108.42 142.08 39.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 72.34 110.309 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -66.18 104.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.11 110.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.7 t30 -155.26 131.24 10.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.12 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -96.59 -8.69 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 73.04 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.37 -13.9 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 75.13 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.469 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.7 mm? -104.13 -76.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.42 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -58.15 161.54 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 75.22 110.347 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 0.2 OUTLIER -146.87 151.27 36.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.33 109.326 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.75 -75.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 73.34 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.88 95.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.52 108.246 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -176.27 -177.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 73.13 109.29 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.43 -26.45 9.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 74.15 109.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -109.77 94.21 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 73.42 111.024 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.477 HE22 ' NE2' ' A' ' 948' ' ' GLN . 35.8 tp60 -67.62 129.92 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.03 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.521 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.95 156.63 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 72.35 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.69 -27.82 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.42 109.27 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.43 -137.88 5.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 73.03 110.995 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.04 122.19 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 72.11 110.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.563 HG21 ' CD1' ' A' ' 939' ' ' TYR . 5.6 pt -78.44 136.39 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 74.25 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.475 ' CD1' ' HD3' ' A' ' 942' ' ' ARG . 30.7 pt -138.12 144.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 64.33 109.332 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -62.88 -174.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 72.31 108.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.31 -51.53 69.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 75.53 109.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.3 m -56.11 -40.32 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.41 108.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 120.12 35.69 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 64.45 111.033 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -94.28 116.82 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 75.03 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.44 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 65.41 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -71.76 -28.72 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.52 107.99 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 164.59 -117.45 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 74.23 110.995 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.97 156.06 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 72.34 110.417 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.45 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 17.3 tpp -101.83 97.51 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 72.42 111.012 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 23.6 mtp -82.09 145.4 30.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.05 110.99 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 2.7 t -126.62 144.96 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.23 109.281 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.594 ' CD2' ' OH ' ' A' 1015 ' ' TYR . 2.1 t-80 -133.86 98.61 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 73.22 109.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 1.8 mttp 60.75 20.16 10.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 63.14 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.58 8.52 28.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 73.21 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 13.4 tp -79.41 164.85 23.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 72.51 109.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -122.54 106.83 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 72.23 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.73 96.64 16.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.31 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.446 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -75.01 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 65.55 111.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.29 105.61 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 75.31 108.34 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.98 166.01 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 73.22 109.281 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.412 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.8 mttt -129.53 122.2 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 74.32 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.9 mt -58.9 -19.31 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.23 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.85 -6.52 42.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 73.23 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.4 m-20 -124.21 -1.12 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 72.34 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.8 m-85 -121.63 -176.54 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 72.34 111.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.2 t -138.54 160.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 63.14 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.71 119.8 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.4 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 906' ' ' LEU . 2.3 t -113.9 122.41 67.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.22 109.26 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.628 ' CE1' ' NZ ' ' A' ' 897' ' ' LYS . 59.2 m-85 -84.75 135.88 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -85.94 -43.7 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 75.04 109.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.416 ' ND2' HD11 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.75 -53.44 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 73.54 109.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 994' ' ' ASN . 0.5 OUTLIER -125.98 145.3 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.41 109.34 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.401 ' C ' ' OG1' ' A' ' 996' ' ' THR . 28.5 m -69.97 90.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 74.31 110.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.449 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 7.3 m -156.31 162.96 40.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 74.11 110.379 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -133.88 117.05 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 75.11 109.32 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.449 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.72 131.84 53.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 74.34 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.98 111.37 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.54 110.289 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 94.9 m-85 -102.88 -170.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.51 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.468 ' CA ' HG22 ' A' ' 984' ' ' ILE . 48.9 pttt -128.01 -46.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.53 109.354 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 35.7 mttt -120.7 156.03 32.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 75.15 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 984' ' ' ILE . 26.3 m95 -67.6 -24.79 65.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.22 108.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.0 p -62.78 -29.8 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.34 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.98 -21.39 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.31 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.24 113.16 13.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.22 109.35 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.02 -1.51 11.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 73.4 110.977 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.2 132.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.24 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.9 m -76.37 137.68 39.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 75.02 110.39 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.23 165.52 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 74.33 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.04 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 75.44 110.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -147.42 104.57 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.02 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -120.03 117.74 28.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 72.23 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' 1017 ' ' GLU . 24.2 m-20 -99.83 103.51 15.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 64.3 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' 1016 ' ' SER . 0.4 OUTLIER -53.75 -39.5 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.55 110.959 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.652 ' N ' ' CD1' ' A' 1015 ' ' TYR . 3.1 t -50.47 -24.16 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 73.03 110.0 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' 1014 ' ' ASP . 5.0 mm-40 -38.95 -47.55 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 74.22 110.305 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1018 ' ' CYS . . . . . 0.468 ' HB2' ' CD2' ' A' 1020 ' ' LEU . 19.4 p -93.51 121.8 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 73.24 108.263 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 8.7 t -122.6 21.84 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.14 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' 1018 ' ' CYS . 0.0 OUTLIER -74.21 -69.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 75.24 109.277 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -38.0 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 75.12 111.012 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' 1020 ' ' LEU . 46.8 t -40.8 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 62.52 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -120.28 -41.87 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 75.14 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.45 171.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 75.44 110.325 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 62.13 109.299 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.975 -0.85 . . . . 70.14 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.34 24.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 70.53 111.045 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 5.8 mt -113.22 -174.81 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 75.13 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 175.86 176.64 44.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 64.45 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 1.2 t -98.17 46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 72.13 110.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -129.81 53.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.41 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -131.94 9.77 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 75.33 109.293 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 -91.1 45.11 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 71.2 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -126.56 122.7 23.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 73.1 109.273 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 63.41 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 6.9 t -84.57 -23.91 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.12 109.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.87 -26.42 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 75.03 109.316 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.6 OUTLIER -96.26 150.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 71.33 109.329 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.51 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.65 160.85 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.34 110.389 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.6 m-30 -100.61 141.89 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 63.32 110.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.42 ' CD1' HG23 ' A' ' 990' ' ' VAL . 1.1 mt -135.92 175.27 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.34 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -90.56 121.53 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.012 -0.995 . . . . 72.11 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -51.96 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 73.33 109.31 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.23 -57.9 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 72.43 109.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -99.9 -101.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 65.42 108.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.5 t 155.83 42.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 53.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.05 132.68 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.33 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.51 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.68 107.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 71.35 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -86.17 -35.11 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 55.44 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . 0.445 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.41 170.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 73.14 108.332 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 10.8 t -100.62 163.3 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 72.21 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . 0.531 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -69.64 -29.18 71.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 65.45 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 14.4 pt-20 -83.77 -19.59 34.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 73.21 110.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.32 22.6 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.01 109.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -120.25 156.85 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 72.5 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' 1013 ' ' LEU . 8.8 m170 -117.19 157.86 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 74.13 109.616 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 4.1 t -123.81 148.86 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 75.24 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.687 ' CD1' ' CE1' ' A' 1015 ' ' TYR . 1.4 mm -125.01 113.86 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.43 109.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 926' ' ' MET . 30.5 mt-10 50.37 27.92 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.53 110.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.3 mptt 43.05 28.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 74.51 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 924' ' ' GLU . 18.2 ptm -121.16 -37.56 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 74.24 110.938 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.409 ' N ' ' CG ' ' A' ' 926' ' ' MET . 24.3 m170 -127.49 113.45 16.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 74.34 109.627 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -89.23 106.71 18.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.14 109.575 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 10.0 m -105.48 142.2 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 73.45 109.296 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -96.75 95.94 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 72.53 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.1 mmm -84.19 46.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.43 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.445 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -104.63 122.47 43.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 75.1 110.372 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 73.31 111.013 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.47 -28.55 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 73.43 110.3 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -69.0 -18.75 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 74.51 110.988 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.22 -17.61 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 74.13 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.93 4.48 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 61.34 110.321 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.554 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.1 mt -108.58 -11.85 15.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 73.45 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -126.95 149.95 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.03 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -125.85 137.54 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.54 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.32 136.99 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 73.52 109.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -113.69 138.93 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 70.31 110.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.3 104.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 75.01 110.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.503 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.7 t30 -157.46 117.33 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 74.34 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -86.7 -9.16 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.51 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.87 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.32 109.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -105.91 -59.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.01 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.577 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -77.55 146.58 36.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 73.42 110.248 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.577 ' N ' HE21 ' A' ' 948' ' ' GLN . 10.5 mtpm? -136.29 178.82 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 71.14 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 952' ' ' ALA . 10.3 mptt -100.76 -79.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 75.21 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.81 95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 74.22 108.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.07 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 74.05 109.266 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -110.74 -26.05 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 64.25 109.336 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -110.2 94.94 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 74.31 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 973' ' ' VAL . 37.3 tp60 -67.18 130.7 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.04 110.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -112.06 158.33 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 74.24 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.76 -25.46 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.5 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.29 -137.09 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 74.44 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.63 131.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 75.41 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.7 pt -86.41 131.96 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 74.51 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 24.6 pt -133.98 142.85 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 75.41 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.0 OUTLIER -61.9 -174.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 55.24 108.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.93 -51.58 69.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 73.25 109.327 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.76 -39.24 70.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 75.32 108.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.17 37.33 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 74.21 111.008 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -96.72 118.21 32.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 73.14 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -51.03 99.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 75.43 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.554 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 6.3 m0 -72.25 -31.1 65.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 75.3 108.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.99 -123.45 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 63.42 111.015 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.3 149.58 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 74.54 110.464 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' MET . . . . . . . . . . . . . 24.8 tpp -97.25 93.22 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.14 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 25.6 mtp -81.92 147.89 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 74.52 110.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 4.2 t -123.77 145.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 65.2 109.278 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.519 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -134.18 100.41 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.12 109.539 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.519 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 18.8 mttm 61.02 20.94 11.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.21 109.287 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.7 37.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 64.23 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.496 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 8.4 tp -79.48 166.38 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 75.41 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -122.57 100.89 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 70.15 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.565 ' CD2' ' CZ ' ' A' 1015 ' ' TYR . 0.1 OUTLIER -124.49 96.5 41.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.32 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 71.42 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 105.13 17.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 71.44 108.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -86.03 167.45 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 74.21 109.285 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 20.6 mttt -128.38 122.54 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 75.24 109.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.566 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.7 mt -60.22 -17.91 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 71.5 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.47 -11.68 60.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.5 110.265 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -118.48 -6.28 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.01 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 24.4 m-85 -114.83 -177.87 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 74.42 111.02 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.8 t -140.46 156.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.53 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.12 119.47 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 72.5 109.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 906' ' ' LEU . 3.0 t -115.71 124.26 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.21 109.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.485 ' CD1' HG22 ' A' ' 903' ' ' ILE . 60.9 m-85 -84.83 136.5 33.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 70.14 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.82 -43.92 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 72.11 109.316 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.74 -54.1 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 72.14 109.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -125.01 138.65 54.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 75.25 109.275 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 33.2 m -64.58 91.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 74.2 109.989 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 8.0 m -153.52 163.25 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 62.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -133.72 113.73 12.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.44 109.309 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.52 138.66 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.43 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -119.31 112.78 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 74.13 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 97.1 m-85 -105.46 -170.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 74.41 111.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.504 ' CA ' HG21 ' A' ' 984' ' ' ILE . 21.2 pttt -129.34 -45.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.45 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.477 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 21.9 mmtp -117.14 150.31 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 75.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.566 ' CE3' HG13 ' A' ' 984' ' ' ILE . 43.3 m95 -64.88 -36.96 86.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.33 108.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1004 ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 0.7 OUTLIER -49.58 -28.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 75.01 109.323 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.23 110.349 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' A' 1010 ' ' PHE . 6.7 tp -50.24 110.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 72.5 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.428 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 0.1 9.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 73.4 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -92.7 134.3 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 74.32 109.297 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -70.16 150.79 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 63.41 110.377 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' A' 1006 ' ' LEU . 6.1 m-85 -126.3 165.61 26.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 61.2 111.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.7 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 71.14 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -149.21 108.53 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 75.33 109.284 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.88 122.56 41.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 70.1 109.283 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.445 ' OD1' ' CB ' ' A' 1016 ' ' SER . 7.9 t70 -107.89 165.05 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.33 109.279 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.687 ' CE1' ' CD1' ' A' ' 923' ' ' ILE . 9.6 m-30 -89.09 -42.84 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 64.5 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.445 ' CB ' ' OD1' ' A' 1014 ' ' ASP . 1.0 OUTLIER -44.54 -26.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 62.14 109.986 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' 1015 ' ' TYR . 25.9 mt-10 -38.72 -52.87 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.22 110.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1018 ' ' CYS . . . . . 0.412 ' HB3' ' CD2' ' A' 1020 ' ' LEU . 3.4 m -98.85 167.6 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 51.2 108.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 90.6 m -124.5 52.51 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.43 108.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' 1020 ' ' LEU . 0.3 OUTLIER -84.07 -40.15 18.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.53 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.418 ' CE1' ' CE1' ' A' ' 974' ' ' HIS . 12.0 m-85 -65.33 -9.96 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 72.43 111.01 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.15 46.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 75.11 109.973 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -98.2 -28.86 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 74.5 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.29 170.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 74.25 110.322 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 74.4 109.324 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 52.22 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.95 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 71.32 111.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 6.1 mt -113.28 -175.64 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.43 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 164.01 146.72 4.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 72.11 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.91 -176.53 2.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 73.4 110.02 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -52.1 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 73.11 111.017 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -174.14 176.9 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 74.5 109.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 6.5 t-20 67.82 26.8 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.45 109.326 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.85 127.31 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 61.43 109.317 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.03 0.27 9.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.517 1.798 . . . . 70.23 111.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 11.7 t -84.09 -27.28 28.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.34 109.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.412 HD11 ' ND2' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -86.36 -23.34 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 73.23 109.335 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.81 154.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 63.13 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.521 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.36 159.07 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 71.14 110.422 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.8 m-30 -100.21 138.32 37.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 74.41 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.47 ' CD1' HG23 ' A' ' 990' ' ' VAL . 1.0 OUTLIER -132.47 177.34 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 74.44 109.352 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -90.71 125.26 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.993 -1.003 . . . . 74.45 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -55.33 -59.4 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 70.43 109.306 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -46.35 -57.96 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.3 109.331 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.1 m -98.87 -101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 75.25 108.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.6 OUTLIER 154.08 42.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 72.53 110.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 136.99 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 73.53 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.521 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -65.88 106.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.14 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.434 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -88.26 -34.93 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 70.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.7 p -176.31 161.52 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 64.44 108.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.58 158.44 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 72.24 109.984 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.46 -46.85 57.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 55.32 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -60.89 -28.97 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 73.02 110.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -93.98 31.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 64.11 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.56 145.0 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 73.54 109.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.645 ' CD2' ' CD1' ' A' 1013 ' ' LEU . 74.8 m80 -109.12 175.45 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.21 109.623 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 7.7 t -136.88 157.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 71.04 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.42 HG13 ' CE1' ' A' 1015 ' ' TYR . 5.4 mm -134.26 116.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 72.23 109.258 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.425 ' CB ' ' HE1' ' A' ' 926' ' ' MET . 7.0 mm-40 51.51 24.95 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.2 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.455 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 1.9 mptt 46.5 27.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 72.53 109.265 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.429 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 7.2 ptp -121.82 -38.23 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 74.35 110.973 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.429 ' N ' ' CG ' ' A' ' 926' ' ' MET . 5.8 m170 -118.69 132.81 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 73.33 109.643 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 920' ' ' ILE . 0.1 OUTLIER -104.88 101.73 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 71.11 109.592 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 8.5 m -105.68 145.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 61.14 109.269 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.407 ' OD1' ' OG1' ' A' ' 932' ' ' THR . 62.7 t30 -102.57 96.02 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 71.12 109.315 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.8 mtt -82.5 47.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 75.13 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 930' ' ' ASN . 0.6 OUTLIER -107.77 127.01 28.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 74.32 110.412 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 74.54 111.027 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.37 -32.79 62.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.34 110.311 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.527 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 53.7 t80 -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.51 110.965 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.604 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.7 ptpt -63.83 -16.12 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 74.35 109.28 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.1 3.24 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 72.01 110.258 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.532 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -112.27 -18.2 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 75.14 109.284 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -123.56 149.64 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 73.33 110.966 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.09 137.13 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.01 109.339 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.68 131.36 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 74.41 109.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.23 121.22 43.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.33 110.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -46.56 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.43 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.5 t30 -158.14 129.56 6.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.43 109.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -96.5 -7.27 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.44 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.23 -13.15 47.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 43.01 109.284 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.87 -58.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 73.3 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.581 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -78.85 146.34 33.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 73.54 110.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.581 ' N ' HE21 ' A' ' 948' ' ' GLN . 10.3 mmmt -134.1 179.49 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 74.14 109.275 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 952' ' ' ALA . 1.6 mptp? -97.17 -78.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.23 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.29 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 64.32 108.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.27 -178.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 74.23 109.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.96 -26.92 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 63.22 109.266 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -114.33 97.04 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 74.25 111.013 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 973' ' ' VAL . 9.6 tm0? -67.09 130.84 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.43 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.53 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -103.96 159.45 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 72.54 109.259 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -101.99 -25.88 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 72.4 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.72 -137.79 5.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 64.15 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -125.61 129.23 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 72.51 110.246 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 939' ' ' TYR . 20.5 pt -89.08 130.41 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 72.1 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.447 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.6 pt -130.82 149.35 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 73.21 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.65 -174.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.21 108.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.6 mmmm -61.32 -51.74 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 65.32 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.0 m -55.34 -36.01 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 53.44 108.292 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.13 35.57 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 74.22 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -92.94 123.51 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 55.52 110.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -54.43 95.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 70.22 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.7 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -69.8 -42.56 73.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.54 107.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . 0.465 ' CA ' ' HD3' ' A' ' 983' ' ' LYS . . . 174.34 -123.68 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 73.43 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 2.9 p -146.06 170.07 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 74.32 110.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.436 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 27.0 tpp -116.08 96.75 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.22 110.998 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 7.7 mtp -82.04 154.42 25.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 74.33 110.988 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 955' ' ' GLN . 16.4 t -126.35 148.6 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.12 109.278 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.692 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 2.3 t-80 -139.63 102.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 74.02 109.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 7.6 mttp 61.54 24.01 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 75.21 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.21 2.35 55.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 74.33 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.434 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 1.6 tt -79.41 166.93 21.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 75.45 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.418 ' N ' HD23 ' A' ' 977' ' ' LEU . 99.0 m-20 -116.4 118.0 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.14 109.328 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.565 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 0.2 OUTLIER -135.54 96.46 13.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 72.11 109.338 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.423 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.01 116.63 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 73.52 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.43 114.59 26.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 74.41 108.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.3 mp -100.6 146.07 27.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 72.5 109.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -108.75 125.26 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.31 109.28 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.566 HD11 ' CE3' ' A' 1003 ' ' TRP . 1.5 mt -58.76 -25.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.43 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.3 ptp180 -67.05 -7.54 23.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.35 110.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.8 m-20 -120.16 -3.37 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.22 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.7 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.6 m-85 -122.84 -175.74 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.25 111.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.3 t -139.89 160.09 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 71.52 109.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.66 123.23 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 71.52 109.273 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 906' ' ' LEU . 2.3 t -117.43 119.34 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.44 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.38 135.2 36.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 72.14 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.31 -40.06 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 74.45 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.412 ' ND2' HD11 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.78 -55.55 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 65.33 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -128.43 153.32 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 73.14 109.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 3.8 p -71.5 90.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.01 109.963 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.452 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 4.2 m -154.82 159.81 40.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 62.43 110.404 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -133.66 116.78 16.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 72.42 109.337 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.452 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 1.1 mptm? -107.0 129.0 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 74.23 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -106.92 109.64 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.42 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.417 ' CB ' HG22 ' A' ' 984' ' ' ILE . 94.7 m-85 -101.41 -172.84 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 71.03 111.041 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.476 ' CA ' HG23 ' A' ' 984' ' ' ILE . 25.7 pttt -123.86 -49.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 75.21 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 31.4 mttt -118.7 160.69 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.32 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.566 ' CE3' HD11 ' A' ' 984' ' ' ILE . 37.2 m95 -72.33 -22.41 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 72.14 108.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.0 p -63.75 -21.03 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.41 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -77.99 -28.47 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.44 110.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.2 111.32 4.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.43 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.05 -0.19 9.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 73.23 110.968 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.38 137.02 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 75.44 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 3.4 t -72.0 158.56 35.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 63.12 110.379 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.518 ' CD2' ' CE1' ' A' ' 928' ' ' HIS . 10.1 m-85 -139.91 165.7 29.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.51 110.983 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.64 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 75.44 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -149.3 104.91 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 73.43 109.27 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.645 ' CD1' ' CD2' ' A' ' 921' ' ' HIS . 4.7 mt -98.73 171.3 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.43 109.323 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.53 133.64 16.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.03 109.237 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 21.7 m-30 -62.09 -41.46 98.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.2 110.953 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.6 t -40.65 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 65.11 109.971 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' 1015 ' ' TYR . 38.0 mm-40 -62.1 -49.92 73.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 70.25 110.279 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1018 ' ' CYS . . . . . 0.451 ' CA ' HD23 ' A' 1020 ' ' LEU . 3.6 m -76.47 87.62 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.15 108.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 1.8 m -108.89 35.54 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 73.41 108.309 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -82.26 -72.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 75.21 109.336 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -86.32 -9.27 56.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.01 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 1.1 m -76.39 64.21 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 73.14 109.983 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1023 ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' 1024 ' ' GLU . 93.1 m-20 -125.38 31.32 5.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 70.33 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1024 ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' 1023 ' ' ASP . 0.0 OUTLIER -48.37 176.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 72.22 110.328 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 71.24 109.32 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.031 -0.828 . . . . 72.41 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.91 36.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 53.33 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.77 -176.31 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 73.4 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 174.28 114.9 0.37 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 74.44 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 6.6 t -172.18 170.12 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 62.1 109.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -88.95 166.9 13.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 72.43 111.008 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -136.06 27.58 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 72.21 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 -93.13 22.1 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 75.21 109.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -112.1 127.61 26.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 70.14 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.428 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -75.01 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 64.02 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.9 -26.57 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 62.44 109.987 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.4 -22.98 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 75.4 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -102.22 151.96 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 75.14 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.512 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.31 161.63 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.43 110.406 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.83 141.4 33.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 70.21 111.027 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -135.6 175.85 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 73.13 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.8 t -91.0 122.09 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.966 -1.015 . . . . 74.45 110.931 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -52.04 -60.53 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 75.41 109.284 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -45.83 -59.95 2.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.23 109.277 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.8 m -97.41 -100.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.43 108.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.7 m 153.93 42.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 72.1 109.99 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.32 132.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 62.45 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.512 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -63.23 108.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 71.35 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -88.46 -34.68 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 53.31 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.2 p -178.65 162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 74.23 108.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.31 157.09 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.4 109.985 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -51.36 -46.52 52.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 64.42 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.406 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.7 pp20? -63.26 -27.72 69.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 61.24 110.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.85 31.28 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 63.02 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.524 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.45 156.59 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 62.32 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' 1013 ' ' LEU . 14.1 m80 -122.48 162.48 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.54 109.623 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 4.2 t -124.55 163.11 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 73.2 109.316 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.549 HD11 ' CE2' ' A' 1015 ' ' TYR . 2.7 mt -130.47 110.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 75.23 109.286 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 923' ' ' ILE . 2.4 pt-20 40.94 29.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 75.4 110.257 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 925' ' ' LYS . 0.0 OUTLIER 46.79 49.56 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.31 109.313 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.52 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 19.7 ptm -135.5 -42.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 70.32 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.52 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.4 m170 -127.15 134.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 73.01 109.604 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -95.52 106.61 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 65.42 109.555 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.95 138.62 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 75.21 109.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.04 95.84 6.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 74.02 109.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.9 mmt -84.51 46.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 74.3 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.71 123.85 38.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 64.24 110.397 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 72.53 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.16 -34.28 71.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 64.11 110.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.425 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 70.0 t80 -59.97 -20.3 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 71.52 111.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -65.02 -16.44 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.11 6.03 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.14 110.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.47 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.5 mt -110.75 -17.16 13.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 74.52 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -125.37 151.51 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.33 110.982 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.96 137.96 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 71.02 109.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 960' ' ' ILE . 2.2 t -104.53 137.27 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.31 109.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -113.98 120.91 42.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 75.42 110.306 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -47.91 104.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 65.14 110.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -153.9 129.64 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.2 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -8.17 31.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 73.31 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.4 35.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 72.15 109.312 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.32 -58.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 75.03 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.569 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -72.37 145.91 47.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.44 110.306 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.569 ' N ' HE21 ' A' ' 948' ' ' GLN . 26.4 mmtp -134.63 147.84 50.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.5 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 952' ' ' ALA . 13.3 mptt -66.64 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 65.21 109.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.18 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.24 108.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -177.27 173.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 75.3 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.1 -34.37 9.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 73.33 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . 0.48 ' CG ' ' SD ' ' A' ' 972' ' ' MET . 9.4 m-85 -108.19 93.47 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 75.22 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 6.7 tm0? -67.2 138.62 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 74.41 110.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -109.83 157.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 73.1 109.33 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -106.01 -23.11 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 73.12 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 165.71 -153.9 24.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.167 . . . . 74.53 110.965 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -119.72 122.11 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.31 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.551 HG22 ' CE1' ' A' ' 939' ' ' TYR . 14.7 pt -79.71 134.28 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 64.35 109.26 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.459 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 27.7 pt -136.48 148.32 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.01 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.25 -175.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.43 108.26 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.41 -51.84 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.32 109.255 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 6.9 m -55.02 -38.41 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.21 108.305 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.42 33.44 1.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.554 1.159 . . . . 73.11 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -92.65 123.49 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 74.44 110.298 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -52.78 101.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.14 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 4.9 m0 -76.78 -36.98 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 75.33 108.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 174.29 -127.74 1.36 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 72.03 110.991 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' THR . . . . . 0.4 HG21 ' NZ ' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -154.22 138.68 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 72.03 110.412 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.451 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 1.3 ttm -85.79 105.95 16.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.22 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 9.7 mtm -81.85 169.37 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 75.41 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 955' ' ' GLN . 21.2 t -140.16 136.2 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 75.05 109.338 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.509 ' CE1' ' CZ ' ' A' 1021 ' ' PHE . 1.9 t-80 -129.91 100.19 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 71.15 109.612 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.9 mttp 60.66 18.75 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 65.04 109.269 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.35 27.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 74.42 111.011 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 14.6 tp -85.47 166.68 16.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 75.34 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -118.83 113.39 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.14 109.275 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' A' 1015 ' ' TYR . 0.2 OUTLIER -139.24 102.26 7.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 75.41 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 122.73 7.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 73.4 110.972 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.81 100.69 10.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 74.21 108.274 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -81.51 165.38 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.34 109.289 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 40.2 mttt -128.69 122.37 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 75.15 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.577 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -59.11 -22.09 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.04 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.478 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 2.9 ptt180 -70.43 -5.93 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 72.44 110.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.9 m-20 -124.56 -0.01 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.34 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.2 m-85 -122.9 -176.19 3.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 74.34 110.971 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 10.6 t -140.92 157.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.52 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.41 122.51 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 75.43 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 906' ' ' LEU . 2.1 t -114.66 120.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.21 109.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.409 ' CD1' HG23 ' A' ' 903' ' ' ILE . 30.7 m-85 -82.61 134.64 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 73.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -85.98 -46.01 10.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.42 109.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.66 -55.73 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 71.13 109.295 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 996' ' ' THR . 2.9 t-20 -123.98 132.77 53.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 72.33 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 2.2 t -58.49 84.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 70.33 109.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.489 ' CG2' ' NZ ' ' A' ' 998' ' ' LYS . 2.1 m -148.15 161.03 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 71.34 110.445 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -133.91 115.13 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 73.52 109.248 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.489 ' NZ ' ' CG2' ' A' ' 996' ' ' THR . 4.3 mptt -104.62 129.04 52.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.24 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.87 108.25 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 72.12 110.296 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.6 m-85 -101.26 -171.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 75.33 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.49 ' CA ' HG21 ' A' ' 984' ' ' ILE . 47.3 pttt -129.7 -45.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 72.52 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.467 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 17.5 mmtp -117.41 149.65 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 74.43 109.298 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.577 ' CE3' HG13 ' A' ' 984' ' ' ILE . 42.7 m95 -63.89 -38.98 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 75.31 108.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1004 ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 0.6 OUTLIER -48.03 -25.86 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.25 109.278 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.81 -40.08 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 72.35 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.491 HD22 ' CZ ' ' A' 1010 ' ' PHE . 7.2 tp -50.49 107.08 0.73 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.23 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.453 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.01 1.04 8.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 73.34 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.36 135.62 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.12 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.0 t -69.82 144.76 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 73.04 110.411 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.491 ' CZ ' HD22 ' A' 1006 ' ' LEU . 5.4 m-85 -124.82 165.83 23.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 70.22 111.03 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1011 ' ' PRO . . . . . 0.42 ' O ' ' ND2' ' A' 1012 ' ' ASN . 18.2 Cg_endo -74.97 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 71.25 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1012 ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' 1011 ' ' PRO . 0.8 OUTLIER -149.14 108.69 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 71.13 109.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -118.62 118.4 31.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 73.41 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.4 ' N ' HD23 ' A' 1013 ' ' LEU . 1.7 m-20 -90.66 -177.34 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 72.41 109.335 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.549 ' CE2' HD11 ' A' ' 923' ' ' ILE . 11.3 m-85 -88.78 -56.54 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 71.34 110.969 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.3 t -39.4 -30.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.51 110.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' 1015 ' ' TYR . 17.9 mm-40 -41.37 -48.7 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 73.24 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 4.0 m -96.9 155.84 16.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 74.15 108.301 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 34.4 t -129.77 22.06 5.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 63.24 108.342 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' 1022 ' ' SER . 2.7 mt -55.05 -36.14 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 74.41 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 15.6 m-85 -38.27 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 73.31 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' 1020 ' ' LEU . 6.6 t -46.9 105.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 53.42 110.031 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.5 22.25 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 73.11 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.85 170.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.33 110.311 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 13.7 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 72.33 109.315 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.031 -0.827 . . . . 72.32 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.6 12.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.454 1.765 . . . . 74.31 111.063 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 5.5 mp -156.76 173.54 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 73.41 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 162.3 135.09 1.75 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 74.45 110.966 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.9 p -126.1 -74.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.12 109.971 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -40.5 161.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 74.51 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 897' ' ' LYS . 1.5 ttmp? -175.64 159.14 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.11 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.8 t-20 74.17 27.46 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 75.21 109.272 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -119.58 126.0 27.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.53 109.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.409 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 63.44 110.968 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.69 -26.02 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 65.15 109.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.413 HD23 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.66 -24.98 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.22 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -100.11 152.54 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.32 109.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.522 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.36 159.79 42.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 74.12 110.447 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.68 139.06 36.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.14 111.028 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.447 ' CD1' HG22 ' A' ' 990' ' ' VAL . 0.9 OUTLIER -133.83 177.26 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.21 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.4 t -91.93 122.47 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.971 -1.013 . . . . 73.32 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 72.4 109.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.82 -57.83 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 35.14 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.3 -100.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 70.13 108.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.9 OUTLIER 152.98 42.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 52.31 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.49 134.58 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 72.54 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.522 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -64.23 106.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 72.24 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.428 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.29 -35.08 18.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.15 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . 0.492 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.1 m -178.74 160.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 74.52 108.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.421 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.3 t -105.67 162.19 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.12 110.007 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -57.73 -45.97 92.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 74.45 111.047 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.41 -17.41 62.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 74.22 110.356 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -105.34 28.77 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.41 109.299 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.07 156.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 64.51 109.311 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' 1013 ' ' LEU . 29.2 m80 -119.75 172.08 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.4 109.605 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' A' ' 928' ' ' HIS . 3.6 t -128.86 155.55 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.33 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' 1015 ' ' TYR . 6.5 mm -131.82 112.72 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 73.53 109.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.427 ' CB ' ' HE3' ' A' ' 926' ' ' MET . 24.5 mt-10 53.33 24.29 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 71.23 110.257 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 49.15 27.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 73.43 109.325 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.455 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.2 ptp -125.39 -40.24 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 74.54 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.455 ' N ' ' CG ' ' A' ' 926' ' ' MET . 18.4 m170 -117.67 136.17 53.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 75.31 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.519 ' CE1' HG23 ' A' ' 922' ' ' VAL . 5.0 m80 -104.53 107.57 18.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 72.34 109.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.1 m -102.29 130.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.4 109.266 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -94.44 95.8 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 75.23 109.282 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 14.2 mtp -83.92 47.16 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 72.01 111.015 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.492 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 124.12 36.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 75.33 110.433 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.6 Cg_endo -74.94 -44.84 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 72.13 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -33.85 65.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 73.23 110.306 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 87.2 t80 -62.43 -20.64 64.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 71.44 110.938 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.1 ptpt -63.95 -17.78 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.54 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.04 5.09 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 73.12 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.601 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.5 mt -111.15 -10.25 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 71.04 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -130.16 151.02 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.21 111.041 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . 0.564 ' CD1' ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.33 140.01 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 74.14 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.14 124.0 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 75.22 109.272 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -101.34 123.08 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.44 110.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -46.55 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 73.33 110.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.5 t30 -156.9 116.43 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 72.33 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 -8.53 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.33 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.82 -13.95 39.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 73.12 109.321 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.495 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -104.41 -57.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 75.14 109.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.58 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -77.11 146.8 36.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.1 110.287 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.58 ' N ' HE21 ' A' ' 948' ' ' GLN . 9.0 mtpm? -137.47 -179.04 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 75.03 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 952' ' ' ALA . 27.0 mttt -102.89 -77.82 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 71.24 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.36 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 71.35 108.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -177.71 -177.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 73.11 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.82 -26.37 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 75.24 109.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.7 95.94 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.24 111.018 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 973' ' ' VAL . 29.5 tp60 -66.89 136.0 54.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 65.21 110.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.502 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -114.93 158.05 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 74.05 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.56 -25.51 13.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.33 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.17 -141.4 7.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 62.12 111.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.36 135.36 55.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 74.3 110.297 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.3 pt -93.75 128.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 63.23 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 19.4 pt -130.95 140.08 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 73.24 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -57.67 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 74.43 108.268 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.564 ' NZ ' ' CD1' ' A' ' 940' ' ' ILE . 7.6 mmmt -62.28 -49.68 74.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 73.31 109.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -58.12 -32.26 67.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.3 108.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.44 42.4 1.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 74.1 110.978 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.3 tp60 -101.71 118.21 36.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 73.3 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.6 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.21 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.695 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.9 m0 -68.8 -34.8 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 72.45 107.948 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 170.39 -122.77 1.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 73.54 111.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.72 151.51 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 75.25 110.362 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 19.1 tpp -95.38 92.53 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 71.43 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.82 151.94 27.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.25 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 955' ' ' GLN . 16.8 t -125.57 150.15 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 64.1 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.759 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 2.3 t-80 -142.34 103.45 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 70.43 109.567 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 15.4 mttp 62.51 23.2 13.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.58 0.66 57.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 74.34 111.027 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.24 162.35 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 70.41 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.41 ' N ' HD11 ' A' ' 977' ' ' LEU . 2.6 p30 -110.63 116.02 30.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 61.54 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.84 96.17 13.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.25 109.339 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.436 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.95 116.47 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 62.4 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.19 104.53 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 61.03 108.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.1 mp -86.42 166.87 15.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 73.44 109.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.411 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 18.1 mttt -128.67 122.39 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 65.02 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.565 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.8 mt -58.68 -18.55 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.13 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -6.34 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.23 110.372 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.5 m-20 -124.57 -0.85 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.42 109.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.5 m-85 -121.86 -176.28 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 63.31 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 19.7 t -137.38 160.97 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 74.31 109.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.04 116.93 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 75.22 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 906' ' ' LEU . 2.7 t -113.88 124.26 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.12 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -82.41 137.46 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 74.1 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 902' ' ' LEU . 26.8 ttpp -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.33 109.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.413 ' ND2' HD23 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.79 -54.17 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 64.32 109.324 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -135.73 154.82 51.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 71.41 109.302 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 19.6 t -67.14 93.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 74.41 110.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.456 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 2.5 m -152.54 155.36 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 71.41 110.427 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -133.53 112.65 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 75.34 109.272 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.04 129.78 54.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 72.11 109.312 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -107.07 110.9 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 70.52 110.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.0 m-85 -102.79 -171.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.23 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.467 ' CA ' HG21 ' A' ' 984' ' ' ILE . 6.1 pttm -126.1 -48.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.42 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 19.3 mttm -120.33 158.6 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.41 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.565 ' CE3' HG13 ' A' ' 984' ' ' ILE . 21.7 m95 -70.17 -24.45 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.35 107.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.9 p -61.19 -21.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 65.53 109.33 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.99 -26.57 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 74.1 110.331 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.419 ' CD2' ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.44 112.36 5.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 72.11 109.377 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -74.99 -5.65 17.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 74.45 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.28 133.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 74.31 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.3 t -69.99 151.83 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 71.14 110.421 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.419 ' CE1' ' CD2' ' A' 1006 ' ' LEU . 6.8 m-85 -129.2 163.09 48.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 73.35 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1011 ' ' PRO . . . . . 0.417 ' O ' ' ND2' ' A' 1012 ' ' ASN . 18.5 Cg_endo -74.93 -163.24 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 73.34 111.019 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1012 ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' 1011 ' ' PRO . 1.6 m120 -149.08 103.47 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 75.4 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.542 ' HB2' ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.14 122.34 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 74.13 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.453 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 2.5 m-20 -115.47 110.09 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 73.42 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.759 ' CE1' ' CD2' ' A' ' 974' ' ' HIS . 1.2 p90 -36.56 -45.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 74.12 111.062 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 8.3 t -39.23 -50.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 74.1 109.986 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -38.8 -51.44 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 70.21 110.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.7 m -97.37 88.17 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 75.11 108.258 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 3.6 m -114.77 46.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 61.44 108.25 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -82.25 -59.32 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 70.42 109.316 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -49.89 -22.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 72.1 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 30.2 t -39.49 108.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 64.51 110.013 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.95 21.84 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 74.15 109.301 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.34 174.48 11.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 70.11 110.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.4 109.302 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.832 . . . . 63.25 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.49 26.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 74.13 111.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -144.23 -176.54 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.12 109.266 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 144.36 134.99 2.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 64.53 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.7 p -123.28 -75.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 44.01 110.002 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -121.79 174.29 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.33 111.014 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -159.64 176.23 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 74.41 109.292 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' 1007 ' ' PRO . 7.7 t-20 73.46 24.46 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 73.05 109.274 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -123.15 131.15 24.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.41 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.428 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.2 Cg_endo -74.97 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 64.24 111.021 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -85.72 -24.08 27.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 74.23 110.035 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -23.09 20.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 73.05 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.21 159.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 75.04 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.516 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.55 162.29 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 74.12 110.364 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 8.3 m-30 -103.33 137.54 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 75.13 111.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -131.04 177.24 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 74.13 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 50.4 t -92.07 120.35 32.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.023 -0.99 . . . . 53.44 110.914 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -50.7 -59.62 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 71.02 109.28 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -46.3 -59.66 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 75.3 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 911' ' ' SER . 79.0 m -97.17 -102.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 63.11 108.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.0 OUTLIER 155.93 40.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.35 109.969 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.81 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 74.31 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.516 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -65.39 106.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 73.52 109.288 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.435 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.39 -35.3 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.44 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -177.69 162.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 74.51 108.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.467 ' CB ' HG22 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.43 155.29 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 65.15 109.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.12 -52.22 23.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 75.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.428 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.5 pp20? -55.26 -30.78 60.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 74.54 110.289 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.91 29.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 62.43 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.47 149.61 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 74.21 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.517 ' CE1' HD13 ' A' 1013 ' ' LEU . 27.3 m80 -114.99 170.0 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 65.54 109.574 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 2.8 t -129.15 147.94 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.13 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' 1015 ' ' TYR . 4.6 mm -124.87 111.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 73.24 109.337 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.17 21.4 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 72.12 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 50.72 23.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 74.43 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.405 ' HG3' ' N ' ' A' ' 927' ' ' HIS . 5.2 ptp -117.81 -33.92 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 72.42 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 926' ' ' MET . 24.5 m80 -128.28 135.87 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 74.35 109.579 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -101.83 107.69 18.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 71.33 109.577 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.38 128.7 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.25 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 66.7 t30 -97.39 96.92 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 60.24 109.262 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.2 mtt -82.52 47.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 73.15 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.36 123.98 37.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.12 110.394 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 64.01 111.021 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -56.47 -31.58 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 62.43 110.306 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.29 -21.72 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 74.52 110.958 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.83 -15.99 62.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.19 6.09 32.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 65.14 110.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.592 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.9 mt -114.24 -10.28 12.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 71.54 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -130.44 151.13 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 72.24 111.023 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . 0.562 ' CD1' ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.82 139.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.34 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.31 131.08 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 72.4 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.1 OUTLIER -105.75 122.3 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 74.41 110.346 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -49.42 104.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 72.43 110.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.463 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.7 t30 -157.46 130.53 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.12 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -96.67 -8.24 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.44 109.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.98 -13.51 35.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 71.01 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.7 mm? -102.58 -75.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.02 109.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.537 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -57.62 161.32 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 71.22 110.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 0.5 OUTLIER -151.24 102.02 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 71.24 109.312 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -40.18 -66.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 75.34 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 22.6 m -56.65 93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 73.34 108.294 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . 177.35 -173.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.33 109.31 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.88 -32.64 8.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 61.44 109.276 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -107.18 93.53 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.35 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.464 HE22 ' NE2' ' A' ' 948' ' ' GLN . 31.4 tp60 -67.51 130.56 43.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.11 110.293 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.537 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.0 157.86 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 74.52 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . 0.427 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -96.53 -25.72 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.55 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.56 -137.54 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 75.43 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -121.61 122.43 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 71.14 110.254 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' A' ' 939' ' ' TYR . 4.8 pt -80.69 134.21 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 74.14 109.294 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 21.1 pt -134.3 139.92 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 73.32 109.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -58.63 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.1 108.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.562 ' NZ ' ' CD1' ' A' ' 940' ' ' ILE . 8.5 mmmt -63.29 -49.38 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 74.25 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.1 m -57.93 -31.76 67.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 72.31 108.258 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.05 41.99 1.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 73.14 111.005 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.7 tp60 -102.85 117.96 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 72.4 110.283 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -51.05 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.52 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.657 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.0 m0 -68.83 -32.29 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 70.44 108.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 168.09 -114.86 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 63.31 111.046 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.06 156.95 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 74.32 110.399 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.478 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 16.3 tpp -100.26 95.33 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.31 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 34.8 mtp -81.99 147.66 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.13 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 3.6 t -125.76 143.51 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 72.22 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.623 ' CE1' ' CZ ' ' A' 1021 ' ' PHE . 2.0 t-80 -132.56 104.74 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 72.4 109.585 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 0.0 OUTLIER 61.7 15.42 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 71.13 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.86 4.42 33.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 75.43 111.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.502 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 10.8 tp -79.32 166.31 22.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 74.54 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.34 112.33 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 70.41 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.69 96.38 13.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.43 109.338 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.441 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.98 116.49 4.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 75.55 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.09 106.47 18.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 72.12 108.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.566 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -87.86 169.73 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.15 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 6.1 mttm -131.26 122.9 27.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 75.31 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.589 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.0 mt -58.79 -18.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.31 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -72.67 -5.73 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 74.1 110.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.9 m-20 -125.46 -0.19 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.15 109.305 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.657 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.3 m-85 -122.37 -176.28 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.34 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.92 162.77 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 75.14 109.316 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.56 123.63 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.22 109.286 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' A' ' 906' ' ' LEU . 1.2 t -113.69 114.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.4 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.482 ' CD1' HG21 ' A' ' 903' ' ' ILE . 55.5 m-85 -84.89 118.67 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 75.04 110.921 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -86.06 -10.65 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 75.53 109.321 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.99 -50.28 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 74.32 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.15 -3.43 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 50.43 109.27 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.404 ' O ' ' OG1' ' A' ' 996' ' ' THR . 97.9 p 47.88 54.02 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 63.13 109.977 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 995' ' ' SER . 18.8 m -157.39 174.32 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 73.53 110.417 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 990' ' ' VAL . 2.3 ttpp -134.1 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 71.51 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -108.03 157.59 18.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 73.23 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -123.99 107.92 11.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 64.04 110.314 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 92.6 m-85 -98.79 -171.62 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.2 111.017 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.473 ' CA ' HG23 ' A' ' 984' ' ' ILE . 7.3 pttt -127.03 -47.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 75.2 109.244 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.401 ' HD2' ' CG ' ' A' 1001 ' ' LYS . 0.0 OUTLIER -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 74.13 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.589 ' CE3' HG13 ' A' ' 984' ' ' ILE . 29.7 m95 -67.53 -26.32 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.21 108.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.8 p -61.67 -31.8 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 63.42 109.266 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.26 -22.84 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' 1010 ' ' PHE . 6.7 tp -62.34 112.43 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 74.32 109.294 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.456 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 62.21 111.013 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.46 134.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.33 109.255 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -71.17 146.36 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 62.2 110.387 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' 1006 ' ' LEU . 6.2 m-85 -124.83 165.21 26.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.3 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 75.01 110.993 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.24 105.39 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 72.2 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.517 HD13 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.6 123.21 45.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 63.24 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.415 ' N ' HD22 ' A' 1013 ' ' LEU . 17.7 t0 -110.04 173.3 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 73.31 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.554 ' CE1' HD13 ' A' ' 923' ' ' ILE . 19.7 m-30 -89.18 -41.76 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.15 111.012 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 4.3 t -41.42 -28.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.34 110.019 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.48 -48.43 80.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 74.54 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1018 ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.9 m -90.27 138.27 31.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 75.51 108.251 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 57.4 m -130.93 35.19 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 60.23 108.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' 1022 ' ' SER . 2.5 mt -67.29 -37.55 83.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 74.23 109.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.623 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 64.1 m-85 -38.37 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.3 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1020 ' ' LEU . 7.4 t -59.27 102.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 71.53 109.979 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.87 -33.95 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 75.01 109.342 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.68 159.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.43 110.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 72.35 109.307 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . 0.448 ' N ' ' CD ' ' A' ' 892' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 53.23 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 891' ' ' GLY . 18.4 Cg_endo -75.02 -14.34 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 63.01 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.92 139.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 74.43 109.31 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 137.9 126.23 2.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 60.12 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 39.3 t -118.69 -75.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 73.14 110.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -97.95 -61.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 75.35 110.978 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . 0.4 ' NZ ' ' CE1' ' A' ' 991' ' ' PHE . 21.6 ttpp 64.95 40.54 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' 1007 ' ' PRO . 29.0 t-20 -119.99 19.69 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.24 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -102.28 125.92 34.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 75.52 109.309 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.432 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.1 Cg_endo -75.05 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 74.25 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.9 -19.82 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 63.13 110.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.477 ' CD2' ' ND2' ' A' ' 993' ' ' ASN . 1.4 mt -92.62 -23.71 18.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 74.3 109.276 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.503 HG23 ' CE1' ' A' ' 991' ' ' PHE . 0.3 OUTLIER -101.26 151.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 75.04 109.314 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.515 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -141.41 159.74 41.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 71.32 110.443 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.557 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.4 m-30 -100.99 139.58 36.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 65.13 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.48 ' CD1' HG22 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.87 176.01 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 72.15 109.329 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -91.08 122.85 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.009 -0.996 . . . . 73.11 110.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -52.83 -61.44 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 71.55 109.267 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -44.62 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.34 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.3 m -100.04 -101.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 65.44 108.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.0 t 154.69 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 72.25 109.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.03 133.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.22 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.515 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.0 OUTLIER -61.5 106.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 64.33 109.283 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.85 -36.18 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.14 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.67 166.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 72.55 108.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.65 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 74.15 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . 0.557 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -65.48 -29.73 75.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 74.44 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.3 pp20? -83.37 -17.26 42.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 73.1 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 19.22 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 75.1 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -118.09 157.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 72.24 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.563 ' CE1' HD13 ' A' 1013 ' ' LEU . 10.5 m170 -117.85 157.17 27.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 73.53 109.598 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.4 t -121.66 152.32 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 75.34 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.511 HD12 ' CZ ' ' A' 1015 ' ' TYR . 3.7 mm -127.05 114.66 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 72.14 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 926' ' ' MET . 93.7 mt-10 49.59 30.06 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 75.12 110.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.452 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.2 mptt 40.92 29.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.54 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' ' 924' ' ' GLU . 24.8 ptm -123.07 -39.25 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 65.44 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.438 ' N ' ' CG ' ' A' ' 926' ' ' MET . 35.4 m170 -122.35 114.65 21.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 73.42 109.582 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -91.63 108.39 19.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 73.42 109.581 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.73 146.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 74.31 109.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -97.0 95.59 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.01 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.19 47.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.53 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.15 124.19 36.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.33 110.452 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.492 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.5 Cg_endo -74.95 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 73.11 111.043 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.18 -28.65 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 75.5 110.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -68.03 -19.47 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 74.23 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.57 -16.26 64.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 71.3 109.329 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.24 4.34 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.42 110.267 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.46 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.9 mt -107.9 -18.88 13.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 75.24 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -121.16 152.11 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 73.24 111.038 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.07 136.36 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 74.44 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.4 134.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.45 109.278 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.08 121.45 45.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.24 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.15 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.44 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -154.31 130.33 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 64.31 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -96.55 -8.07 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 75.05 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.21 -13.42 37.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 63.44 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.8 mm? -103.61 -76.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 74.41 109.279 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -58.6 161.01 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 75.53 110.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 21.7 mttt -143.84 178.02 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.11 109.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 952' ' ' ALA . 49.4 mttt -101.28 -77.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 73.13 109.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 7.4 p -53.6 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 75.34 108.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.47 179.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.13 109.256 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -110.33 -25.39 10.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 73.53 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -109.16 93.48 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 73.34 111.022 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 973' ' ' VAL . 10.4 tm0? -67.43 136.32 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 72.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.521 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -115.26 156.93 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 65.13 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -96.42 -26.82 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.21 109.306 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.01 -137.21 5.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 70.1 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.26 126.69 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 74.24 110.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.561 HG21 ' CD1' ' A' ' 939' ' ' TYR . 10.6 pt -83.97 137.17 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 65.3 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 28.0 pt -138.58 143.7 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.21 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -62.88 -174.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 72.5 108.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.69 -51.12 70.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 75.42 109.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.0 m -55.99 -36.65 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 74.12 108.335 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 115.11 38.3 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 54.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -97.84 118.05 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 73.24 110.306 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.69 97.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 64.34 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.2 m0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.33 108.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 164.75 -120.1 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 73.24 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.36 161.93 41.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 73.12 110.421 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.447 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 27.1 tpp -109.02 98.45 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.43 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.0 mtp -82.1 150.14 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 73.4 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 955' ' ' GLN . 4.1 t -126.68 144.13 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 73.11 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.458 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.2 t-80 -133.21 98.16 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.43 109.631 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.458 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 10.8 mtmt 60.86 21.76 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.44 109.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 106.46 6.64 35.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 61.14 111.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.3 tp -79.59 166.37 21.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 71.02 109.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -121.83 110.93 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.21 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.481 ' CD2' ' OH ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -135.01 96.65 14.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 73.32 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 63.43 110.996 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.84 105.36 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 75.53 108.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.565 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.21 168.95 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 74.24 109.303 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 13.4 mttt -128.61 122.82 31.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.23 109.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.561 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.6 mt -60.44 -17.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.43 109.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.92 -11.62 60.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 72.02 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.9 m-20 -118.15 -4.59 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.14 109.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.49 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 24.6 m-85 -116.4 -177.58 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 74.05 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . 0.413 HG23 ' NE2' ' A' ' 999' ' ' GLN . 11.4 t -138.02 162.02 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.14 109.291 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.489 HG23 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.84 122.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.22 109.269 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 906' ' ' LEU . 1.3 t -113.85 120.66 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 71.31 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' A' ' 903' ' ' ILE . 57.4 m-85 -91.69 118.64 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 75.24 111.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -85.97 -18.58 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.52 109.28 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 902' ' ' LEU . 1.1 m-80 -100.12 -2.17 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 73.31 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . 0.435 ' CB ' ' HB3' ' A' ' 991' ' ' PHE . 30.6 t30 -123.0 0.39 9.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 72.34 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.404 ' O ' ' OG1' ' A' ' 996' ' ' THR . 94.0 p 39.15 56.89 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 64.55 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 995' ' ' SER . 29.6 m -157.26 171.6 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 75.43 110.402 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -133.88 115.26 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 74.45 109.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.28 171.46 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 72.45 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . 0.413 ' NE2' HG23 ' A' ' 988' ' ' VAL . 12.3 tt0 -140.51 106.0 5.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 73.11 110.244 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.489 ' CD1' HG23 ' A' ' 989' ' ' VAL . 65.0 m-85 -93.73 -170.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 72.52 111.02 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.464 ' CA ' HG23 ' A' ' 984' ' ' ILE . 53.5 pttt -126.66 -48.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 74.43 109.336 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' 1001 ' ' LYS . 24.7 mttp -119.15 157.26 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.11 109.35 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.561 ' CE3' HG13 ' A' ' 984' ' ' ILE . 34.9 m95 -68.5 -24.65 64.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 75.25 108.004 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.0 p -64.1 -31.53 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.67 -18.88 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 71.05 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.07 113.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.45 109.283 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.479 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.97 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 75.33 111.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.8 OUTLIER -87.21 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.34 109.305 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -83.13 135.23 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.31 110.394 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -106.65 165.03 13.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 74.34 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -163.77 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 64.3 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.7 111.3 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 63.24 109.34 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.563 HD13 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -121.67 119.53 32.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 64.33 109.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.48 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 74.1 109.345 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.511 ' CZ ' HD12 ' A' ' 923' ' ' ILE . 21.4 m-85 -89.27 -40.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 75.24 111.03 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -33.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 63.3 110.049 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -44.9 -52.17 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 70.1 110.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 27.6 m -96.79 129.91 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.15 108.289 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 1.8 m -125.79 24.08 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 73.55 108.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' 1022 ' ' SER . 1.1 mt -63.16 -41.8 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 73.44 109.315 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.31 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 71.42 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' 1020 ' ' LEU . 6.5 t -51.58 104.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.11 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 43.6 t0 -110.18 -15.57 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 75.23 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.66 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 72.31 110.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 75.33 109.289 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 72.25 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.14 37.75 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.441 1.759 . . . . 74.45 111.038 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 5.7 mp -154.01 165.46 36.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 64.32 109.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 173.45 110.75 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 63.05 110.98 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 17.7 m -175.02 168.68 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 74.34 110.022 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -80.16 168.41 19.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 73.13 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -133.98 22.18 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 73.23 109.296 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.3 t-20 -91.26 19.22 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 75.25 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -107.61 125.84 31.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.33 109.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.01 0.71 8.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 72.11 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 17.8 t -84.1 -26.32 29.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 73.01 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.14 -24.04 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.43 109.357 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.538 HG21 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.79 158.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.42 109.317 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.51 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.94 159.56 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 63.34 110.42 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.73 139.86 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 72.1 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.7 OUTLIER -133.95 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 74.41 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.2 t -90.73 122.1 33.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.995 -1.002 . . . . 64.12 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -52.82 -60.57 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 75.32 109.36 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -44.95 -57.77 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.23 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -99.96 -100.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.14 108.318 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.9 p 153.82 42.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.14 110.031 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.58 131.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 71.05 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.51 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -60.23 106.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.25 109.272 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.425 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -85.56 -35.76 20.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 64.44 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.68 168.24 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 73.42 108.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 5.9 m -106.77 156.67 18.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 74.42 109.996 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.09 -48.5 62.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 61.42 111.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.8 pp20? -63.19 -25.86 68.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 74.33 110.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.63 32.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 73.33 109.32 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.6 147.69 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.12 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.587 ' CD2' ' CD1' ' A' 1013 ' ' LEU . 58.0 m80 -111.45 156.25 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.35 109.642 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.1 t -124.71 157.31 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 53.51 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' 1015 ' ' TYR . 3.2 mm -132.97 114.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 71.34 109.285 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.429 ' CB ' ' HE3' ' A' ' 926' ' ' MET . 23.1 mt-10 52.66 26.24 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 74.34 110.276 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 47.91 30.97 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 73.21 109.319 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.496 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 9.5 ptp -133.08 -42.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.44 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 926' ' ' MET . 70.2 m-70 -101.84 121.73 42.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.21 109.625 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.518 ' CE1' ' CD1' ' A' 1003 ' ' TRP . 11.1 p-80 -99.17 102.35 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 74.13 109.615 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.47 135.47 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 62.15 109.344 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.452 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 63.9 t30 -101.93 95.94 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.41 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.9 mtt -83.99 46.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 73.01 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -103.24 124.12 39.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 75.42 110.385 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 74.41 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.96 -23.42 65.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.31 110.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.426 ' CB ' ' HB ' ' A' ' 932' ' ' THR . 66.8 t80 -73.44 -22.53 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.43 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.0 ptpt -65.04 -14.35 60.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 72.25 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.64 2.79 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.45 110.361 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.416 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.0 mt -108.85 -22.63 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 74.14 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.625 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -116.47 151.2 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 73.04 111.014 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.8 mt -130.14 136.47 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 75.45 109.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.4 t -93.69 133.22 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.13 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.433 ' CD ' HD12 ' A' ' 961' ' ' ILE . 0.7 OUTLIER -114.9 122.13 45.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.45 110.275 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -47.14 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 63.53 110.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.501 HD22 ' N ' ' A' ' 947' ' ' LEU . 2.2 t30 -153.29 121.67 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.33 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -89.94 -8.76 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 75.21 109.321 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -13.91 36.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 74.44 109.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.501 ' N ' HD22 ' A' ' 944' ' ' ASN . 2.0 mm? -108.57 -75.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 75.23 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -54.58 165.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 74.54 110.296 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 12.7 mtmt -151.03 -172.37 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 65.22 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -99.62 69.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 74.43 109.322 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 955' ' ' GLN . 87.1 m -108.32 177.75 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 53.12 108.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -128.0 -44.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 74.43 109.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.67 -50.26 66.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 75.33 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . 0.466 ' CD1' ' HE1' ' A' ' 972' ' ' MET . 20.5 m-85 -136.26 87.99 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.45 111.049 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 973' ' ' VAL . 37.9 tp60 -73.66 136.33 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 53.23 110.257 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.453 ' H ' ' NE2' ' A' ' 955' ' ' GLN . 0.9 OUTLIER -115.29 158.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.25 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -107.3 -24.06 12.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 75.32 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.19 -137.82 5.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 72.5 111.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . 0.477 ' CG ' ' HG ' ' A' ' 947' ' ' LEU . 12.9 tt0 -128.63 132.37 48.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 75.32 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.564 HG21 ' CD1' ' A' ' 939' ' ' TYR . 11.3 pt -87.1 136.25 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.41 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.0 pt -137.16 145.04 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 75.13 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -64.4 -174.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 71.24 108.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -61.97 -50.96 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 75.11 109.276 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.8 m -56.16 -34.46 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 62.14 108.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.08 1.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 70.35 110.967 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.1 tp60 -99.94 118.85 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 73.52 110.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -52.09 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 74.32 109.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.3 m0 -66.43 -36.45 82.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.32 108.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.71 -128.72 1.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 73.44 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.24 151.24 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 73.31 110.415 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' MET . . . . . . . . . . . . . 14.8 tpp -94.1 93.98 8.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 72.54 111.024 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.466 ' HE1' ' CD1' ' A' ' 954' ' ' TYR . 27.1 mtp -82.17 153.42 26.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.14 110.979 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 955' ' ' GLN . 11.5 t -124.8 149.23 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.12 109.267 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.02 100.97 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 70.44 109.624 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp 60.19 24.57 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.2 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.44 56.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 65.32 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 978' ' ' ASP . 0.7 OUTLIER -79.38 162.47 25.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 73.11 109.302 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.407 ' N ' HD12 ' A' ' 977' ' ' LEU . 14.6 m-20 -109.49 115.66 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 74.11 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -134.4 96.23 15.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 74.33 109.316 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 73.13 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.66 106.37 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 71.54 108.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -88.3 166.37 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 74.54 109.279 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.411 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 19.1 mttt -128.03 124.08 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 73.53 109.289 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.571 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -59.34 -19.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 75.42 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -6.21 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 74.43 110.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 73.9 m-20 -124.28 -0.83 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 63.14 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.7 m-85 -122.09 -176.45 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 73.22 111.012 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . 0.409 HG22 ' NE2' ' A' ' 999' ' ' GLN . 17.7 t -139.61 162.37 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 73.51 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.514 HG23 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -121.07 123.38 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.51 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 906' ' ' LEU . 1.0 OUTLIER -112.82 115.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 64.11 109.333 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.538 ' CD1' HG21 ' A' ' 903' ' ' ILE . 38.9 m-85 -85.14 118.72 24.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.23 111.052 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.29 -13.68 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 75.11 109.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.91 -50.94 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.44 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -70.26 -8.6 51.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 75.21 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 996' ' ' THR . 1.4 m 52.03 52.16 14.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 72.01 110.014 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 995' ' ' SER . 23.3 m -157.53 175.7 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 72.25 110.384 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 990' ' ' VAL . 2.5 ttpp -134.25 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 73.44 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -109.42 155.53 21.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.31 109.327 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 988' ' ' VAL . 15.7 tt0 -121.91 105.41 10.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 72.4 110.271 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.514 ' CD1' HG23 ' A' ' 989' ' ' VAL . 73.7 m-85 -93.99 -172.49 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 63.33 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.473 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.3 pttt -126.31 -49.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 64.3 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' 1001 ' ' LYS . 11.1 mtpt -115.81 164.17 14.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 73.41 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.5 m95 -75.96 -14.12 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 75.03 108.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.3 p -76.02 -34.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.22 109.319 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.99 -19.24 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.55 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.07 115.44 40.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 75.03 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.95 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 73.1 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.14 135.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.32 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -81.09 129.19 34.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.1 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.34 165.65 14.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 75.32 111.013 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 73.12 111.024 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -148.56 107.42 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 75.5 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.95 119.3 33.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 72.32 109.298 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 41.6 t0 -100.27 166.89 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 74.31 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.428 ' CE2' HD11 ' A' ' 923' ' ' ILE . 23.2 m-85 -89.15 -39.32 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.42 111.014 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 11.7 t -45.48 -28.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 70.52 110.021 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -47.68 -48.5 29.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 71.23 110.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.6 m -97.0 125.96 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 75.51 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 7.5 m -122.03 60.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 62.31 108.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' 1020 ' ' LEU . 1.7 mt -99.93 -39.16 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 74.22 109.323 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.63 -6.98 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 74.04 110.974 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.13 46.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.4 109.993 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -68.97 -27.45 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 75.22 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.38 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.51 110.257 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 30.9 p30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 75.03 109.262 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 74.23 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.02 21.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 75.34 111.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 4.6 mt -78.94 140.58 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 72.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 159.88 101.49 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 73.51 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 895' ' ' SER . . . . . 0.431 ' HB3' ' CD1' ' A' ' 896' ' ' TYR . 1.2 t -100.79 -60.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 73.54 110.021 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 895' ' ' SER . 1.7 m-85 -96.48 -179.55 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 74.51 110.954 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -117.78 15.67 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 75.31 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 -92.81 25.41 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 75.25 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.74 126.2 28.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 75.34 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.464 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.22 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.0 t -82.99 -23.9 33.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 72.43 109.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.18 -23.65 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.31 109.294 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.78 156.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.31 109.255 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.502 HG22 ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -143.94 169.47 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.44 110.4 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 920' ' ' ILE . 13.2 m-30 -108.41 138.64 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 75.24 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 990' ' ' VAL . 2.3 mt -133.36 159.15 41.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.31 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 40.5 t -73.64 130.74 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.952 -1.022 . . . . 73.33 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 18.7 ttpt -57.97 -62.09 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 71.52 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -43.89 -61.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.02 109.311 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.9 m -98.03 -102.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.2 108.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.5 p 157.85 41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.32 110.039 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.0 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 64.13 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 904' ' ' THR . 0.4 OUTLIER -60.79 106.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.51 109.34 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.44 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -89.19 -36.09 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 62.33 109.29 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.9 169.65 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 74.34 108.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 23.4 p -113.72 148.08 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.15 109.984 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -48.78 -45.35 31.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 64.33 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.69 -28.82 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 71.42 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -93.12 30.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 70.03 109.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.35 153.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 75.44 109.334 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' 1013 ' ' LEU . 17.8 m80 -119.41 172.38 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 75.54 109.594 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 8.9 t -134.87 158.1 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 73.12 109.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' 1015 ' ' TYR . 3.0 mt -128.85 111.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 74.44 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 41.11 28.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.33 110.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 925' ' ' LYS . 0.0 OUTLIER 49.5 48.99 20.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.51 109.28 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.513 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.5 ptm -137.91 -42.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.21 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.513 ' N ' ' CG ' ' A' ' 926' ' ' MET . 11.0 m170 -122.28 144.79 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 75.24 109.618 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' 1003 ' ' TRP . 1.3 m-70 -109.15 105.49 14.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 73.15 109.535 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.45 134.88 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 64.3 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 5.2 t-20 -103.39 95.77 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 74.33 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 35.0 mmm -84.37 45.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 64.45 110.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.1 124.18 34.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 74.23 110.38 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.49 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.808 . . . . 70.21 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -55.9 -32.98 64.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 73.34 110.27 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -58.54 -21.78 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 74.33 110.987 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 13.0 ptpt -62.89 -19.46 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 75.5 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.53 4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.42 110.249 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.526 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.3 mt -111.33 -19.85 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 73.24 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -124.1 149.63 45.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.32 110.999 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -125.11 135.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 70.12 109.348 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.43 133.79 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.32 109.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 122.48 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.51 110.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.55 104.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 71.35 110.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.468 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -153.14 129.79 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 65.02 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.45 -7.91 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 75.15 109.339 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.29 -13.42 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 64.54 109.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.7 mm? -103.42 -77.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.45 109.28 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -53.24 161.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 52.42 110.253 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 948' ' ' GLN . 0.1 OUTLIER -151.12 -162.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 73.12 109.346 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -92.05 65.31 4.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 73.21 109.296 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 49.3 m -99.5 140.64 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 55.33 108.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -109.73 -24.5 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 73.31 109.362 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.11 -35.94 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 64.41 109.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . 0.602 ' CD1' ' SD ' ' A' ' 972' ' ' MET . 6.1 m-85 -147.78 85.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 73.54 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 11.7 tm0? -73.33 141.33 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 74.14 110.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.497 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -113.34 156.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.272 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.56 -23.18 12.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 72.24 109.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.27 -138.96 6.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 70.21 111.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.7 144.25 50.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 64.03 110.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.569 HG22 ' CD1' ' A' ' 939' ' ' TYR . 17.7 pt -101.82 135.4 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 73.33 109.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 23.7 pt -134.7 148.4 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.42 109.26 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -66.61 -174.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.24 108.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 3.9 mmmm -58.66 -51.7 68.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 75.34 109.311 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.78 -38.69 72.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 63.11 108.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.78 36.96 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 62.14 111.057 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -95.23 116.07 28.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 72.34 110.287 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -50.2 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 74.25 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.742 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -70.34 -31.92 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 74.22 108.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 167.11 -123.52 1.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 71.02 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.69 163.86 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 74.23 110.43 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.449 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 28.1 tpp -111.59 105.14 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.09 . . . . 72.23 111.006 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.602 ' SD ' ' CD1' ' A' ' 954' ' ' TYR . 1.9 mtm -81.78 172.42 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.5 110.971 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 955' ' ' GLN . 45.0 t -137.71 158.38 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.41 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.5 t-80 -157.47 101.79 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 73.34 109.572 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.8 mttp 61.7 15.34 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 74.34 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.92 1.93 34.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 73.33 110.958 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' 1021 ' ' PHE . 0.8 OUTLIER -79.34 166.43 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 74.23 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.418 ' N ' HD11 ' A' ' 977' ' ' LEU . 0.5 OUTLIER -116.01 112.02 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.21 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -121.7 97.06 46.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.5 109.274 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.43 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.91 113.91 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 75.43 111.073 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.64 105.11 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 73.32 108.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -82.92 155.5 24.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 71.15 109.259 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 46.7 mttt -124.78 121.34 34.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 75.42 109.234 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.574 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -58.52 -30.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 75.22 109.252 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -64.19 -14.3 54.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.12 110.314 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.1 m-20 -115.68 0.41 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 62.21 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.742 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.1 m-85 -126.64 -179.37 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.31 110.957 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 908' ' ' LYS . 3.2 t -138.94 162.39 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 72.01 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.31 136.65 58.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 74.45 109.294 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 906' ' ' LEU . 2.6 t -132.09 132.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 73.32 109.346 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.509 ' CE1' HG21 ' A' ' 903' ' ' ILE . 65.2 m-85 -96.64 135.02 39.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.15 110.997 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 994' ' ' ASN . 6.9 ttpt -85.92 -51.29 6.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.01 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.83 -29.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 64.42 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 992' ' ' LYS . 1.4 t30 -145.69 126.92 14.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 74.13 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.401 ' C ' ' OG1' ' A' ' 996' ' ' THR . 1.7 m -60.66 95.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 73.52 109.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.458 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 5.1 m -155.36 160.02 40.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 72.24 110.398 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -133.72 111.74 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.22 109.3 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.458 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -105.26 150.99 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 75.53 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -127.92 110.61 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 72.15 110.282 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.465 ' C ' ' CG2' ' A' ' 984' ' ' ILE . 83.7 m-85 -101.87 -177.35 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 74.51 110.965 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.474 ' CA ' HG21 ' A' ' 984' ' ' ILE . 36.0 pttt -123.1 -47.45 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.45 109.301 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 24.7 mttm -119.89 151.44 38.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.3 109.305 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 984' ' ' ILE . 60.7 m95 -62.72 -34.83 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 75.24 107.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.4 p -53.39 -27.28 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 75.34 109.305 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -69.68 -34.41 73.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 74.44 110.29 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' 1010 ' ' PHE . 7.3 tp -51.37 108.55 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 74.22 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.457 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 71.34 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.47 130.85 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.32 109.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 t -65.78 137.9 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 54.41 110.386 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.479 ' CZ ' HD21 ' A' 1006 ' ' LEU . 3.7 m-85 -124.59 166.03 21.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.12 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -164.49 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 73.5 111.004 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.23 97.96 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 72.4 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.551 ' HB2' ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -115.52 118.74 34.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.21 109.3 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.69 102.39 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.21 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.505 ' CD1' ' CD1' ' A' ' 923' ' ' ILE . 1.4 p90 -42.9 -32.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 75.45 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1017 ' ' GLU . 1.7 t -54.48 -45.49 73.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.3 110.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' 1019 ' ' CYS . 2.7 mt-10 -37.31 -52.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 74.41 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 17.3 m -58.08 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.04 108.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1019 ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' 1017 ' ' GLU . 69.9 m -94.27 21.76 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 72.23 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -42.02 99.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.22 109.254 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' A' ' 977' ' ' LEU . 61.8 m-85 -90.5 16.43 8.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 73.34 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 47.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 73.2 110.008 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -118.42 18.7 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 74.25 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.43 177.37 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.32 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 74.03 109.274 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 64.53 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . 0.501 ' C ' ' CD2' ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.02 177.91 7.97 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.554 1.818 . . . . 63.23 111.01 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 892' ' ' PRO . 2.6 mm? -140.85 -174.84 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 74.32 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -122.11 164.31 15.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 72.03 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 38.7 t -121.57 -76.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 71.42 110.002 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -116.26 -171.68 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.53 110.982 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.84 177.89 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.41 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 56.66 36.99 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.51 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 902' ' ' LEU . 5.9 t-20 -128.59 124.43 22.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 72.44 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 1.34 7.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 71.34 110.953 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.0 t -87.7 -24.7 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 73.13 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.463 ' CD2' ' ND2' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -91.32 -24.15 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 74.44 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.54 156.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 73.41 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.506 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.33 162.49 39.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 74.15 110.425 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.529 ' CE2' HG13 ' A' ' 920' ' ' ILE . 9.0 m-30 -104.13 140.76 37.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 75.53 111.003 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.5 OUTLIER -134.5 176.11 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.34 109.356 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.5 t -90.44 122.18 33.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.025 -0.988 . . . . 64.34 110.928 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -52.82 -60.29 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 71.3 109.308 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -45.08 -57.74 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 74.25 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -100.01 -101.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.01 108.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.7 p 154.55 41.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.4 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.06 131.24 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 72.15 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.506 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -60.22 107.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 72.14 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.77 -34.76 18.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 74.2 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.12 165.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 72.35 108.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 8.9 t -109.01 159.85 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 62.52 110.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.61 -52.86 35.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 41.23 111.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.416 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -59.33 -25.28 64.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 74.21 110.251 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 29.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 75.02 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.529 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.26 156.43 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 75.53 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' 1013 ' ' LEU . 8.1 m170 -124.81 159.41 31.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 65.43 109.617 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 2.9 t -120.31 156.64 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.53 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 924' ' ' GLU . 4.0 mt -130.23 116.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 71.44 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 923' ' ' ILE . 1.0 OUTLIER 49.69 32.23 4.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 75.31 110.301 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.0 mptt 40.44 32.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 75.32 109.279 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.502 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 15.5 ptm -132.66 -42.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 75.15 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.502 ' N ' ' CG ' ' A' ' 926' ' ' MET . 72.5 m-70 -106.08 129.23 54.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 73.44 109.569 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' 1003 ' ' TRP . 68.9 m80 -103.56 103.42 13.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.43 109.605 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . 0.42 ' CG1' ' SG ' ' A' ' 981' ' ' CYS . 4.7 m -111.56 149.7 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 75.12 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.13 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 75.14 109.323 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 30.7 mmm -83.92 46.75 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.53 110.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.5 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.04 126.2 31.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.21 110.378 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.472 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.93 -45.23 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 61.51 111.052 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.97 -28.98 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.14 110.346 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.402 ' CB ' ' HB ' ' A' ' 932' ' ' THR . 78.4 t80 -68.53 -19.43 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 74.24 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -65.64 -17.34 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.13 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -105.0 4.65 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 73.51 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.59 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -110.23 -11.48 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 70.13 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -127.69 149.27 50.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.24 110.99 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -125.53 138.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 72.15 109.272 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.83 136.16 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 71.02 109.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.433 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.21 119.36 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 75.22 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -45.2 104.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.22 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.458 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.4 t30 -155.11 129.22 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.21 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -96.72 -7.06 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 74.11 109.308 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.29 -13.08 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 73.44 109.273 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -100.53 -55.65 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 75.22 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.58 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -78.43 145.88 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.21 110.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.58 ' N ' HE21 ' A' ' 948' ' ' GLN . 53.3 mttp -137.8 140.41 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.41 109.302 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -60.37 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 74.42 109.282 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 11.2 t -50.32 98.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 74.41 108.298 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . 178.82 179.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 63.14 109.308 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -110.31 -26.26 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 64.43 109.34 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -111.47 94.97 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 72.01 110.982 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 9.4 tm0? -67.23 135.67 53.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 72.42 110.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.542 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.9 OUTLIER -113.32 158.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 73.31 109.293 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -104.33 -24.74 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 74.13 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.95 -139.7 6.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 63.23 110.983 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -125.66 133.9 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 72.53 110.306 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.554 HG23 ' CD1' ' A' ' 939' ' ' TYR . 20.1 pt -92.75 136.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.34 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 15.4 pt -138.65 145.17 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 74.5 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.65 -174.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.4 108.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -60.6 -51.63 68.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 75.41 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.3 m -56.33 -35.1 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.21 108.261 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.88 39.26 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 75.55 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.5 tp60 -96.29 121.34 37.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 71.43 110.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -53.27 91.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 72.21 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.7 m0 -65.45 -39.34 91.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 73.31 108.024 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.8 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 74.35 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.42 156.53 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 73.54 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 27.4 tpp -102.19 100.34 10.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 74.34 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 2.6 mtm -82.09 166.41 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.51 110.971 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 955' ' ' GLN . 9.6 t -143.37 138.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 60.24 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.7 t-80 -127.3 101.51 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.51 109.579 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.6 mttp 59.18 21.34 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 72.54 109.347 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.3 12.35 29.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 72.24 111.03 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 16.7 tp -83.59 166.19 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 72.05 109.318 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -119.26 110.03 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 75.11 109.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.55 98.07 8.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 73.43 109.267 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.446 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 117.42 4.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.766 . . . . 73.43 111.028 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . 0.42 ' SG ' ' CG1' ' A' ' 929' ' ' VAL . 1.7 m -95.73 106.66 18.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.45 108.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.2 mp -89.48 164.71 14.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 72.3 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 12.7 mttt -125.14 122.1 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 74.31 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.572 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.7 mt -59.24 -19.07 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 73.34 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.78 -6.33 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.44 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 78.1 m-20 -123.48 -1.64 8.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 70.42 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.9 m-85 -121.56 -176.85 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.12 110.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . 0.409 HG22 ' NE2' ' A' ' 999' ' ' GLN . 12.7 t -139.02 161.81 28.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.44 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -120.61 123.77 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 71.4 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 906' ' ' LEU . 1.1 t -113.49 121.43 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 72.5 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.489 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -90.11 119.63 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.01 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -85.24 -16.23 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 73.21 109.261 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.463 ' ND2' ' CD2' ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.84 -49.82 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 71.34 109.298 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -69.56 -9.87 55.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.31 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 996' ' ' THR . 69.7 p 50.97 54.32 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 64.42 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.466 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 25.4 m -157.79 173.94 16.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 74.4 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -134.01 115.95 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 75.25 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 2.4 mptm? -109.72 160.65 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 74.24 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . 0.409 ' NE2' HG22 ' A' ' 988' ' ' VAL . 18.9 tt0 -127.7 105.99 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 64.31 110.295 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.479 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 70.1 m-85 -94.14 -170.9 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.41 110.992 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.47 ' CA ' HG21 ' A' ' 984' ' ' ILE . 6.5 pttp -128.36 -47.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 74.21 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 33.2 mttt -121.15 155.26 34.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 74.25 109.293 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.572 ' CE3' HG13 ' A' ' 984' ' ' ILE . 25.2 m95 -66.75 -23.58 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.33 107.988 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.1 p -65.36 -28.47 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.11 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.88 -16.47 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 74.41 110.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.79 114.09 23.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 64.44 109.268 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.99 -0.84 10.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 73.34 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -92.41 134.0 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.3 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -69.92 158.49 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 35.24 110.386 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -134.57 161.82 61.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 73.04 111.024 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -164.58 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 62.55 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 1.5 m120 -149.19 105.09 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 73.02 109.324 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.35 123.24 43.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 63.45 109.266 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' 1015 ' ' TYR . 11.7 t0 -131.01 122.93 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.31 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' 1014 ' ' ASP . 1.2 p90 -36.5 -46.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.22 111.001 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.4 t -39.55 -50.57 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.31 110.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -38.83 -46.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 73.33 110.271 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.6 p -124.39 106.65 10.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.41 108.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 5.0 t -113.57 75.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 70.42 108.251 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' 1022 ' ' SER . 4.6 mt -104.24 -39.76 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 75.34 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -38.49 -29.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 75.24 111.002 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' 1020 ' ' LEU . 19.2 t -46.63 103.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 72.53 110.016 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 30.6 t70 -119.93 -41.01 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 64.44 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.6 177.81 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 54.01 110.336 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 72.01 109.311 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.986 -0.846 . . . . 75.43 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 893' ' ' LEU . 18.2 Cg_endo -75.05 87.66 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 64.23 110.985 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 893' ' ' LEU . 0.3 OUTLIER 40.47 54.0 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 74.01 109.263 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 166.73 136.72 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 43.24 111.017 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 12.9 t -175.17 156.04 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 73.54 109.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -59.45 -173.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 74.32 110.992 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 898' ' ' ASN . 23.3 ttpp -175.56 168.17 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 70.33 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' 1007 ' ' PRO . 19.1 t-20 64.44 22.49 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 72.3 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -115.96 123.33 31.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.22 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.437 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 75.55 111.048 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 10.9 t -84.89 -26.37 27.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 71.21 109.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.452 ' CD2' ' ND2' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -88.39 -27.04 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 74.31 109.304 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -96.08 158.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.32 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.514 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.6 158.14 43.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 70.54 110.447 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.8 m-30 -99.53 139.36 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 74.34 111.031 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.481 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.78 176.37 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.31 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.8 t -89.21 122.81 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.971 -1.013 . . . . 75.14 110.912 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -53.35 -60.4 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.24 109.3 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -45.43 -57.01 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.41 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.0 m -100.64 -101.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 73.1 108.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.84 43.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 73.03 109.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.99 131.94 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.41 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -61.05 106.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.43 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.54 -34.67 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 54.41 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . 0.42 ' SG ' ' ND2' ' A' ' 930' ' ' ASN . 1.1 p -179.24 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 75.12 108.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 41.9 p -104.6 160.38 15.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.11 109.997 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . 0.417 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -55.41 -50.84 58.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 71.31 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -24.46 66.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 65.5 110.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -93.15 28.84 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.43 109.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.531 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -133.24 157.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 74.31 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.437 ' CE1' HD13 ' A' 1013 ' ' LEU . 21.4 m80 -126.24 153.71 44.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.42 109.629 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 50.3 t -120.81 163.3 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.611 ' CD1' ' CZ ' ' A' 1015 ' ' TYR . 2.0 mt -124.39 110.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 70.23 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 3.2 mt-10 37.3 40.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 64.41 110.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 924' ' ' GLU . 12.5 mmtp 39.62 51.55 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 71.23 109.251 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 11.8 ptm -135.54 -41.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.22 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.499 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.0 m170 -128.31 145.92 50.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 73.55 109.576 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 982' ' ' LEU . 12.2 p-80 -107.33 104.59 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 72.04 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.3 m -111.89 130.12 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 75.1 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 915' ' ' CYS . 6.2 t-20 -95.74 95.76 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 75.41 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 49.6 mtt -84.56 46.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 71.4 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.421 ' HB ' ' CB ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -103.66 123.99 39.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 75.31 110.433 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.459 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -75.02 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.552 1.817 . . . . 73.01 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.23 -27.2 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.23 110.341 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.57 ' CZ ' HD22 ' A' ' 982' ' ' LEU . 81.6 t80 -70.14 -19.58 63.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.44 110.969 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.6 ptpt -65.45 -16.66 63.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 72.44 109.22 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.04 4.35 31.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 64.24 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.589 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 14.5 mt -109.85 -15.46 14.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.2 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.623 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -122.41 150.32 42.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.22 110.995 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.79 137.19 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 75.32 109.333 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.76 132.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 65.35 109.32 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.461 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.11 124.54 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 74.12 110.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -46.78 104.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 73.13 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 947' ' ' LEU . 2.2 t30 -155.37 123.08 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 73.53 109.294 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -93.48 -7.97 42.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.44 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.09 -12.8 42.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 73.22 109.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -102.05 -57.2 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 73.14 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.58 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -76.64 146.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.41 110.294 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.58 ' N ' HE21 ' A' ' 948' ' ' GLN . 45.8 mtmt -133.87 176.94 8.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 75.3 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 952' ' ' ALA . 34.0 mttm -94.66 -77.25 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 73.44 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 7.5 p -50.98 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 73.31 108.268 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -178.96 179.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 70.03 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -110.42 -26.59 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 75.25 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . 0.553 ' CD1' ' HE3' ' A' ' 972' ' ' MET . 47.6 m-85 -112.2 95.5 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 74.33 110.966 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 973' ' ' VAL . 11.2 tm0? -67.24 134.21 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.43 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.532 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -108.71 158.74 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 72.1 109.328 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -25.77 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 71.4 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.35 -137.5 4.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 73.53 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.93 138.39 54.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 72.53 110.302 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.56 HG23 ' CD1' ' A' ' 939' ' ' TYR . 7.9 pt -97.67 134.22 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 71.15 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.461 ' CD1' ' HD3' ' A' ' 942' ' ' ARG . 30.3 pt -137.68 148.21 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 73.5 109.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.05 -174.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 71.44 108.283 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -62.14 -51.77 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.03 109.317 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.8 m -55.08 -34.48 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 71.12 108.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.5 37.73 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 73.22 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.5 tp60 -95.98 121.29 37.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 0.798 . . . . 74.34 110.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -55.59 92.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 71.1 109.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 7.2 m0 -65.63 -38.72 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.01 107.999 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . 0.469 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 170.95 -117.89 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 72.01 111.017 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' THR . . . . . 0.448 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -152.63 164.64 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 62.41 110.438 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' MET . . . . . . . . . . . . . 26.4 tpp -109.88 96.41 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.24 110.995 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.553 ' HE3' ' CD1' ' A' ' 954' ' ' TYR . 28.7 mtp -82.09 153.64 25.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 74.2 110.996 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 955' ' ' GLN . 11.0 t -124.0 147.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 73.42 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.455 ' ND1' ' C ' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -138.46 101.38 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.43 109.585 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 60.63 22.37 12.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.42 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.55 1.37 50.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 73.23 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.39 166.66 21.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 75.41 109.329 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -116.02 114.54 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 74.12 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -133.7 96.55 16.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.31 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 121.32 6.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 74.53 111.041 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 983' ' ' LYS . 1.7 m -98.43 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 74.1 108.359 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.9 OUTLIER -97.17 145.71 25.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 75.44 109.26 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.3 OUTLIER -109.28 126.88 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 72.24 109.271 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.568 HD11 ' CE3' ' A' 1003 ' ' TRP . 1.7 mt -58.93 -26.57 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 74.33 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 6.3 ptt180 -66.3 -7.89 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 74.15 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.9 m-20 -117.96 -5.83 11.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 74.33 109.264 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.2 m-85 -121.86 -175.93 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 74.11 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.33 162.18 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.11 109.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.565 HG22 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -119.89 124.18 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.44 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 906' ' ' LEU . 1.0 OUTLIER -112.89 116.35 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 62.4 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.03 118.2 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 75.12 110.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' A' ' 992' ' ' LYS . 8.8 mtmp? -86.16 -16.73 36.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 71.03 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.452 ' ND2' ' CD2' ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.88 -44.77 5.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 75.54 109.269 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -77.59 -0.95 28.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 74.52 109.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.4 ' O ' ' OG1' ' A' ' 996' ' ' THR . 0.7 OUTLIER 43.14 55.89 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 73.01 109.963 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 995' ' ' SER . 16.9 m -157.51 174.36 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 71.44 110.427 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -134.16 116.99 16.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.31 109.277 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.37 151.79 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 73.35 109.249 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -118.29 104.89 11.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.23 110.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.565 ' CD1' HG22 ' A' ' 989' ' ' VAL . 59.2 m-85 -92.01 -174.47 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 75.05 111.002 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.475 ' CA ' HG21 ' A' ' 984' ' ' ILE . 10.5 pttt -124.58 -48.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.53 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 159.53 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 75.22 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.568 ' CE3' HD11 ' A' ' 984' ' ' ILE . 48.0 m95 -71.0 -16.76 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.51 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.4 p -72.74 -32.9 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.11 109.295 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.12 -19.49 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.23 110.328 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.55 116.58 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 75.33 109.275 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.472 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 60.32 111.059 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.01 133.14 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 75.41 109.259 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -80.58 121.7 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.23 110.43 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.57 165.63 17.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.01 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1011 ' ' PRO . . . . . 0.45 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.96 -163.39 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.787 . . . . 75.22 111.014 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1012 ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' 1011 ' ' PRO . 3.4 m-80 -149.2 102.82 3.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 54.31 109.335 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -114.63 118.34 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.35 109.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.412 ' N ' HD21 ' A' 1013 ' ' LEU . 83.2 m-20 -100.73 -179.75 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 72.25 109.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 923' ' ' ILE . 19.4 m-85 -87.36 -29.11 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 70.3 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 6.9 t -40.1 -35.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 70.34 109.996 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.31 -49.87 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 73.54 110.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1018 ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.9 m -94.29 89.61 5.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 62.42 108.313 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 4.4 m -113.89 39.16 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 71.25 108.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -81.91 -55.6 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 73.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.75 -13.37 22.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 73.34 111.012 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 12.8 t -68.17 102.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 72.42 109.988 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -134.6 22.01 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 75.32 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.93 178.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 73.41 110.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 62.13 109.331 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.022 -0.831 . . . . 71.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.48 9.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.812 . . . . 75.32 111.01 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.33 164.88 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.13 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.67 134.47 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 72.24 111.044 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 3.9 m -175.51 -175.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 73.1 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.0 -62.88 1.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 73.52 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 50.99 22.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 63.42 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -86.46 55.34 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.4 109.352 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -144.71 130.03 9.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 73.43 109.249 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.422 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.2 Cg_endo -75.02 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 74.51 110.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.02 -26.47 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 71.51 110.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.421 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.81 -27.97 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 75.43 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -95.93 156.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.52 109.305 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.512 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.47 161.99 40.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.02 110.424 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.23 139.37 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 75.23 111.002 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.451 ' O ' ' CD2' ' A' ' 987' ' ' PHE . 1.4 mt -133.92 173.56 11.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 74.32 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.6 t -92.25 114.5 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.003 -0.999 . . . . 64.32 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -46.71 -58.96 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.24 109.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.7 m-20 -46.9 -58.38 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 72.33 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 911' ' ' SER . 70.8 m -99.12 -102.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 52.41 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.1 m 156.89 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 74.43 110.02 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -95.55 135.07 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.44 109.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.512 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -65.61 108.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 75.51 109.258 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.441 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.82 -35.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 63.21 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -176.62 162.99 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.45 108.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 42.8 p -109.7 158.84 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 53.24 110.007 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.6 -54.7 28.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.15 . . . . 70.33 110.989 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 8.1 pt-20 -52.71 -28.86 23.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 73.41 110.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 5.8 t0 -93.19 29.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.04 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.6 mm -133.09 149.98 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.44 109.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' 1013 ' ' LEU . 19.6 m80 -121.15 158.55 27.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 64.43 109.62 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 75.6 t -122.48 162.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 64.21 109.294 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.418 ' N ' ' CG1' ' A' ' 922' ' ' VAL . 3.7 mm -122.28 109.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 75.21 109.256 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 923' ' ' ILE . 3.6 pt-20 37.92 40.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.55 110.297 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.435 ' CE ' ' OD1' ' A' 1012 ' ' ASN . 11.0 mmtp 40.94 51.39 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 75.23 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.498 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 10.2 ptm -134.41 -40.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 74.01 111.036 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.498 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.1 m170 -130.88 156.33 45.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 64.53 109.567 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.647 ' CD2' ' NE1' ' A' 1003 ' ' TRP . 3.3 p-80 -115.2 107.16 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 75.15 109.598 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.36 132.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.24 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 5.6 t-20 -98.47 95.95 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 73.13 109.282 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 22.7 mmm -83.14 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 62.21 110.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.91 121.97 42.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 74.4 110.359 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.0 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 72.52 111.019 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -55.7 -32.97 63.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.34 110.297 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' A' ' 982' ' ' LEU . 47.5 t80 -59.36 -22.81 61.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.31 110.989 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.588 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.3 ptpt -64.35 -15.86 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 74.21 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -105.15 4.28 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.44 110.344 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.403 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 12.4 mt -111.57 -22.89 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 74.34 109.26 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -120.17 151.73 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 74.33 110.974 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.57 137.44 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 73.1 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.47 134.63 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.42 109.268 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.98 121.05 43.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 74.32 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -46.39 104.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 52.41 110.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.6 t30 -155.71 115.83 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 73.33 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -86.7 -7.72 58.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 74.43 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.96 -14.5 48.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 74.05 109.313 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -104.53 -58.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 64.04 109.277 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.581 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -76.79 146.38 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.33 110.268 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.581 ' N ' HE21 ' A' ' 948' ' ' GLN . 31.7 mmtm -137.03 -173.2 3.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 75.11 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -104.84 -82.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.34 109.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 71.5 m -46.03 102.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.31 108.285 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . 176.57 -177.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 75.44 109.291 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -110.79 -26.89 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 65.45 109.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -112.87 96.63 6.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 73.43 111.031 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 973' ' ' VAL . 12.4 tp60 -66.96 137.63 56.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 74.1 110.342 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.501 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -114.25 157.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 75.1 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.18 -25.82 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.53 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.0 -141.18 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 73.24 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -126.11 128.71 47.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 75.43 110.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 939' ' ' TYR . 10.7 pt -84.72 134.51 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 75.43 109.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 26.7 pt -136.6 145.42 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 74.52 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.38 -175.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.12 108.299 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -61.05 -51.34 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 74.01 109.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.5 m -54.84 -36.38 64.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 64.14 108.265 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.3 37.38 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 51.43 110.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.424 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 23.2 tp60 -98.27 122.26 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 74.32 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 986' ' ' ASN . . . -52.5 101.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.45 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.608 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -76.04 -34.66 59.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 74.0 108.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.65 -124.57 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 73.11 110.993 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.74 153.91 36.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 72.13 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.451 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 16.5 tpp -98.08 92.67 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.02 110.998 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.0 mtp -81.88 148.35 28.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 73.32 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 955' ' ' GLN . 7.9 t -120.38 150.35 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 72.45 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.68 97.71 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 73.04 109.578 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 26.4 mttm 60.8 23.44 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.23 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.43 -0.71 43.15 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 73.42 110.948 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.422 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 7.6 tp -79.27 166.76 21.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 74.33 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -115.08 118.21 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.45 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.498 ' CD2' ' CZ ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -139.46 96.75 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.51 109.291 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 123.61 7.98 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 74.3 111.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.38 104.96 15.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 71.44 108.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.3 OUTLIER -78.67 165.13 23.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.41 109.276 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.44 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 73.0 mttt -130.74 116.42 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 73.42 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.576 HD11 ' CE3' ' A' 1003 ' ' TRP . 2.3 mt -58.49 -19.45 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 63.43 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.3 OUTLIER -72.57 -5.46 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 71.04 110.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.4 m-20 -128.42 3.01 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.33 109.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.608 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 22.6 m-85 -123.85 -175.77 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.43 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.02 154.64 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.14 109.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.69 116.5 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 74.31 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.98 121.46 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 73.32 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -78.11 137.71 38.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.4 110.988 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -85.64 -34.47 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.01 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.421 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.79 -53.49 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 74.33 109.335 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -143.56 158.56 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 75.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 84.2 p -62.06 92.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 73.35 109.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.47 HG22 ' CE ' ' A' ' 998' ' ' LYS . 2.6 m -147.75 142.94 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.34 110.395 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -125.29 108.85 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 72.33 109.288 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.47 ' CE ' HG22 ' A' ' 996' ' ' THR . 5.2 mptt -104.89 129.72 53.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 75.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -110.97 109.8 20.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.23 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.8 m-85 -102.53 -172.13 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 72.4 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.473 ' CA ' HG22 ' A' ' 984' ' ' ILE . 16.6 pttm -126.44 -44.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.03 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 27.7 mttm -119.97 155.62 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 75.44 109.323 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.647 ' NE1' ' CD2' ' A' ' 928' ' ' HIS . 32.1 m95 -71.42 -17.19 62.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 75.51 108.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.1 p -67.47 -26.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.42 109.269 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.34 -33.82 69.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 75.24 110.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.3 tp -52.11 107.5 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.01 109.306 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 75.13 110.993 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -89.62 130.04 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 74.43 109.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.1 t -67.32 146.01 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.4 110.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.9 162.6 40.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 74.13 110.986 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.82 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 74.11 110.987 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1012 ' ' ASN . . . . . 0.435 ' OD1' ' CE ' ' A' ' 925' ' ' LYS . 5.3 m-80 -149.26 105.84 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.087 . . . . 73.23 109.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.83 124.35 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 73.51 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 9.2 t0 -107.79 167.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 63.55 109.296 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 979' ' ' LEU . 5.2 m-85 -88.79 -39.24 14.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 64.14 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.8 t -57.91 -16.97 13.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 61.12 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -43.52 -49.3 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 73.24 110.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.4 t -142.86 179.36 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 52.25 108.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 48.8 t -84.75 65.87 9.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 74.4 108.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' 1020 ' ' LEU . 1.9 mm? -58.34 -17.43 19.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.43 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.75 -8.39 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.04 111.041 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' 1024 ' ' GLU . 0.4 OUTLIER -86.77 46.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 65.22 109.997 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 2.6 t70 45.5 26.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 63.53 109.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1024 ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' 1022 ' ' SER . 63.5 mt-10 -55.95 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 74.42 110.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.12 109.321 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.981 -0.848 . . . . 62.33 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -170.1 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 63.43 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -139.39 -175.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.43 109.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -110.89 169.42 13.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 72.24 110.988 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.3 t -124.93 -64.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 75.23 109.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -45.92 172.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 74.12 111.029 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -174.64 157.25 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.45 109.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.5 t-20 70.46 29.0 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 74.04 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -119.48 129.51 25.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.25 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.422 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.3 Cg_endo -75.07 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 71.4 111.016 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -84.07 -24.98 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 74.44 109.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.426 HD23 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.51 -28.18 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 75.23 109.304 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -95.91 155.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 74.32 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.508 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -146.44 158.87 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 75.21 110.413 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.36 139.37 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.24 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 987' ' ' PHE . 0.8 OUTLIER -133.64 177.37 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 65.13 109.308 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -92.65 121.28 33.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.069 -0.968 . . . . 74.03 110.942 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -51.82 -61.38 2.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.34 109.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -44.8 -58.51 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.31 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 911' ' ' SER . 74.1 m -98.51 -102.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 74.01 108.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.4 p 154.99 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 74.03 110.022 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.67 133.73 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 70.52 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.508 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.87 106.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.54 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.67 -35.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.04 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 71.22 108.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 19.0 t -103.99 163.54 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 74.22 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -62.5 -42.44 99.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 65.45 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 5.9 pt-20 -62.87 -28.07 69.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 75.04 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.8 t0 -94.28 30.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 75.34 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.1 mm -133.5 149.33 31.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 72.33 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -113.9 174.06 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.41 109.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.3 t -135.22 157.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 74.03 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' 1014 ' ' ASP . 1.9 mm -132.95 111.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 75.33 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.42 ' CB ' ' HE1' ' A' ' 926' ' ' MET . 4.8 mm-40 53.24 24.06 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.14 110.334 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.441 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 49.23 26.5 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 74.43 109.261 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.459 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.0 ptp -123.96 -39.78 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 52.3 110.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.459 ' N ' ' CG ' ' A' ' 926' ' ' MET . 27.3 m170 -111.03 133.35 53.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 62.33 109.576 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' 1003 ' ' TRP . 4.9 m-70 -105.25 103.9 13.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.33 109.654 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 8.2 m -107.53 150.16 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.24 109.308 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.456 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 66.0 t30 -119.23 96.78 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.33 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.4 mmt -82.65 47.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.52 111.033 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.404 ' OG1' ' OD1' ' A' ' 930' ' ' ASN . 0.6 OUTLIER -103.71 123.63 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 72.3 110.362 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.471 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -75.0 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 63.14 110.976 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.7 -33.73 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.02 110.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.47 -18.35 61.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 74.3 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.583 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.9 ptpt -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 73.22 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -103.55 4.2 35.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.12 110.352 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.463 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.8 mt -111.59 -18.45 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.35 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -121.51 149.18 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.34 111.011 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.0 137.38 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.22 109.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -102.37 125.9 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 64.34 109.295 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -97.46 139.25 33.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.23 110.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.32 104.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.1 110.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.6 t30 -157.59 129.3 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 73.1 109.292 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -96.71 -6.49 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 74.32 109.329 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.11 -12.86 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 74.55 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.82 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.23 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.582 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -79.76 146.82 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.44 110.363 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.582 ' N ' HE21 ' A' ' 948' ' ' GLN . 35.6 mtmt -135.17 175.25 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 74.12 109.297 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 952' ' ' ALA . 34.3 mttt -94.15 -78.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 73.12 109.292 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.12 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.23 108.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.6 179.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.5 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -110.67 -25.74 9.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 62.42 109.273 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -112.52 95.81 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 74.5 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 956' ' ' ILE . 9.2 tm0? -66.97 135.85 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 72.13 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -112.21 159.2 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 74.31 109.258 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -103.55 -25.6 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 72.24 109.296 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.28 -138.17 5.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 74.24 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.19 131.19 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 71.14 110.291 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.539 HG22 ' CD1' ' A' ' 939' ' ' TYR . 8.8 pt -86.31 137.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 75.43 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.434 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.2 pt -139.47 143.96 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.35 109.303 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.96 -174.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 72.24 108.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.5 mmmm -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 75.22 109.291 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -56.14 -34.82 66.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 72.12 108.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.86 37.5 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 74.42 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -96.73 120.27 36.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 74.33 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -50.72 99.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 72.51 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.1 m0 -73.65 -28.24 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 75.23 107.977 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 162.93 -116.07 0.69 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 75.12 111.026 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' THR . . . . . 0.402 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -155.74 163.14 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 72.23 110.406 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -108.94 96.19 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 72.51 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.3 mtp -82.09 154.92 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 75.14 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 13.9 t -127.98 147.56 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.42 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -136.92 101.86 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 72.42 109.58 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 22.7 mttm 63.0 17.42 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 74.12 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.19 3.11 35.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 60.12 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' 1021 ' ' PHE . 19.0 tp -79.31 167.34 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 72.43 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.514 ' C ' ' CD2' ' A' ' 979' ' ' LEU . 13.1 m-20 -117.03 114.57 23.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.52 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -134.39 97.16 14.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 75.41 109.263 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.446 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.99 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.46 1.768 . . . . 64.44 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 106.77 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 61.02 108.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -86.22 173.72 9.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 73.41 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 24.2 mttt -132.8 122.88 25.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 73.44 109.287 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.569 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.9 mt -60.19 -19.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 65.41 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.61 -11.98 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.34 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.7 m-20 -117.97 -4.46 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 75.02 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 24.2 m-85 -117.14 -176.72 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.33 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.0 159.44 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 74.04 109.33 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.49 HG23 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.11 118.86 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.24 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.5 t -116.64 120.54 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 73.44 109.252 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -80.8 137.32 36.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.32 111.023 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 902' ' ' LEU . 14.4 ttmt -85.76 -35.85 20.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 74.41 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.426 ' ND2' HD23 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.65 -54.73 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 73.41 109.31 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.73 154.07 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 75.34 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 32.3 t -65.69 87.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 73.32 109.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.449 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 2.2 m -145.47 154.48 42.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 64.15 110.381 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -133.39 113.61 12.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 75.21 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.449 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.2 OUTLIER -109.29 141.78 41.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 74.11 109.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -117.2 111.08 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 63.01 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.49 ' CD1' HG23 ' A' ' 989' ' ' VAL . 60.9 m-85 -101.01 -170.94 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 71.55 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.497 ' CA ' HG22 ' A' ' 984' ' ' ILE . 40.5 pttt -130.99 -45.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.21 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.462 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 20.4 mmtp -117.66 148.9 41.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 74.34 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.569 ' CE3' HG13 ' A' ' 984' ' ' ILE . 54.8 m95 -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.32 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1004 ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 1.1 p -56.98 -32.03 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 71.25 109.285 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.09 -23.41 67.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.43 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.528 ' CD2' ' CZ ' ' A' 1010 ' ' PHE . 6.1 tp -60.79 118.45 35.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 75.32 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 74.23 111.011 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.49 128.32 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 75.55 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -67.92 140.79 56.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 70.5 110.415 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.528 ' CZ ' ' CD2' ' A' 1006 ' ' LEU . 3.7 m-85 -116.85 165.07 16.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.44 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 75.24 110.957 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -149.25 105.48 3.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 71.41 109.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' 1014 ' ' ASP . 0.0 OUTLIER -117.02 123.89 47.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 72.24 109.305 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.426 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 0.5 OUTLIER -109.76 177.38 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 75.3 109.31 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.45 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 15.7 m-85 -89.02 -26.82 21.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 1.121 . . . . 74.44 110.959 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.1 t -39.15 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 72.24 110.026 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' 1015 ' ' TYR . 5.6 mm-40 -51.91 -51.3 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 62.53 110.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.6 p -125.84 107.79 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 74.22 108.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 3.6 m -114.95 49.94 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 64.2 108.336 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' 1022 ' ' SER . 0.7 OUTLIER -103.49 -44.62 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 74.22 109.306 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 977' ' ' LEU . 27.1 m-85 -39.15 -29.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.12 111.009 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' 1020 ' ' LEU . 33.0 t -39.34 113.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 71.51 109.954 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 43.3 t0 -124.31 -45.16 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 72.34 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.31 171.64 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 73.43 110.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 74.31 109.292 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.023 -0.831 . . . . 44.34 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 71.12 110.979 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -131.96 -74.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 74.1 109.332 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 153.99 127.88 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.442 1.088 . . . . 63.32 110.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 1.9 t -175.61 164.97 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 74.54 109.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.45 167.66 20.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 72.02 111.002 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -134.57 22.53 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 73.2 109.265 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.1 t-20 -91.95 21.85 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.21 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -109.83 127.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 72.31 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 71.02 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 4.5 t -84.86 -24.54 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 54.23 110.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.406 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -89.22 -26.36 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 74.24 109.276 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -97.31 157.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 71.35 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.509 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -149.38 163.63 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.22 110.416 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.47 136.61 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.23 111.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.1 mt -135.49 158.3 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 71.13 109.244 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 44.5 t -75.44 121.47 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 74.44 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . 0.42 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 9.0 ttpp -52.55 -60.09 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 73.42 109.284 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.4 m-20 -43.89 -58.91 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 74.44 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.6 m -98.49 -101.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 73.25 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.5 p 155.71 42.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.22 110.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.96 135.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.13 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.509 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -65.52 108.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 73.1 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.437 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -89.05 -34.89 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.78 164.38 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 64.33 108.281 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 69.6 p -111.21 157.2 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.13 110.04 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.96 45.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 55.34 110.962 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.425 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 1.7 pp20? -56.88 -27.0 60.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 74.44 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.21 30.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 70.23 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.8 mm -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 75.51 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -122.21 171.21 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 73.33 109.612 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.6 t -129.42 157.86 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.41 109.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.52 ' CD1' ' CE1' ' A' 1015 ' ' TYR . 2.2 mm -132.64 114.8 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 74.54 109.269 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.48 25.95 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 73.21 110.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 45.64 30.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 75.44 109.333 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 15.5 ptm -126.4 -41.09 1.91 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 75.2 110.958 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.476 ' N ' ' CG ' ' A' ' 926' ' ' MET . 29.4 m170 -115.58 144.98 43.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 75.2 109.6 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.35 111.43 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 75.25 109.597 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.4 m -113.48 135.48 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 73.15 109.339 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 6.0 t-20 -101.46 95.34 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 72.25 109.315 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 26.2 mtt -85.66 47.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 64.02 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.34 123.87 38.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 73.54 110.372 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 73.5 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -56.12 -34.02 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.52 110.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -59.34 -21.37 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 75.52 111.037 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.8 ptpt -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 75.22 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -104.96 2.3 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.31 110.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 18.0 mt -109.07 -25.38 10.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.12 109.32 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -118.98 152.75 35.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.4 110.952 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.4 mt -125.71 135.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 75.11 109.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.3 t -98.35 135.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 72.04 109.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.476 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.3 OUTLIER -112.64 117.34 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 75.03 110.351 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -43.98 104.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 73.42 110.263 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.464 HD22 ' N ' ' A' ' 947' ' ' LEU . 2.4 t30 -153.01 123.16 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 72.34 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -7.82 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 75.24 109.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.68 -13.21 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 61.42 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.5 mm? -102.2 -57.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.43 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.579 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -74.74 146.2 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 71.32 110.326 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.579 ' N ' HE21 ' A' ' 948' ' ' GLN . 35.7 mtpt -135.03 -179.22 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.23 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -97.22 -82.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 70.44 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 86.0 m -46.29 103.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 74.21 108.296 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . 175.42 179.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 74.54 109.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.01 -25.77 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 72.3 109.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -112.78 95.95 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.12 110.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 973' ' ' VAL . 8.3 tm0? -67.25 137.24 56.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 60.05 110.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.517 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -111.79 158.39 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 75.42 109.27 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -103.79 -25.51 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 61.41 109.314 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.33 -139.96 6.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 71.42 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.87 141.19 51.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 73.11 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 939' ' ' TYR . 9.3 pt -99.14 135.28 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.43 109.324 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 24.7 pt -137.64 146.71 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 75.34 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.81 -177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.31 108.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -62.55 -48.98 77.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.3 109.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.3 m -56.51 -31.1 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 74.25 108.303 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 108.94 41.95 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 55.33 111.047 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 16.7 tp60 -106.15 122.54 46.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 73.24 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 986' ' ' ASN . . . -51.78 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 51.42 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.3 m0 -82.22 -27.26 32.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.21 108.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 164.43 -117.43 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 62.14 111.033 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' THR . . . . . 0.434 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -156.49 172.73 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 74.23 110.427 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.431 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 26.4 tpp -116.51 93.83 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.35 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.2 mtp -81.82 153.46 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 71.33 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 955' ' ' GLN . 16.4 t -124.86 150.5 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 75.41 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.478 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 2.0 t-80 -143.13 102.28 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 72.31 109.64 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.41 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 28.5 mttt 65.65 21.38 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 73.35 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.88 -0.75 57.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 63.34 110.973 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.64 161.34 25.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 75.34 109.292 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.414 ' N ' HD12 ' A' ' 977' ' ' LEU . 73.3 m-20 -105.82 114.8 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 53.4 109.322 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.55 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 0.0 OUTLIER -137.31 97.74 10.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.34 109.307 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.425 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.04 146.36 32.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.538 1.809 . . . . 72.33 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.96 101.84 7.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 75.43 108.274 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.2 OUTLIER -74.12 168.0 20.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 71.02 109.278 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 21.3 mttm -131.72 118.25 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 75.23 109.312 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.573 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -61.43 -19.69 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.31 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 3.4 ptm180 -71.97 -13.48 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 74.11 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 64.9 m-20 -119.95 -1.19 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 72.41 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.418 ' HB2' ' HA ' ' A' ' 984' ' ' ILE . 6.6 m-85 -116.52 -176.23 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 70.53 111.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 908' ' ' LYS . 22.0 t -142.5 155.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 75.05 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.78 121.1 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 74.13 109.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -116.49 117.15 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.35 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.17 135.38 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.12 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -85.7 -39.74 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 71.23 109.273 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.406 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.59 -55.24 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 55.24 109.33 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -133.0 148.29 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 74.32 109.267 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 36.4 t -63.05 93.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 72.22 109.956 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.55 ' CG2' ' NZ ' ' A' ' 998' ' ' LYS . 3.5 m -153.37 156.68 38.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 74.51 110.426 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -133.48 112.22 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 74.33 109.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.55 ' NZ ' ' CG2' ' A' ' 996' ' ' THR . 3.6 mptt -104.99 129.26 53.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.01 109.321 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -109.45 108.46 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 63.21 110.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.465 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 89.8 m-85 -99.14 -171.21 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.05 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.495 ' CA ' HG23 ' A' ' 984' ' ' ILE . 13.8 pttp -128.52 -45.24 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 74.43 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' 1004 ' ' VAL . 20.1 mmtp -117.63 150.65 38.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 73.23 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.573 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.7 m95 -67.31 -21.32 65.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.993 -1.114 . . . . 72.43 107.993 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1004 ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' 1002 ' ' LYS . 1.4 p -69.45 -25.69 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.42 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.41 -20.14 62.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.04 110.356 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.77 113.8 20.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.41 109.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.48 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.1 Cg_endo -75.01 1.18 8.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 64.12 111.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.1 mp -86.91 133.11 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.15 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.7 m -78.85 132.21 36.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.32 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -108.7 165.78 12.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 64.04 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 62.13 111.024 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -148.74 107.84 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 72.53 109.279 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.17 118.93 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 73.24 109.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.49 169.49 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 70.11 109.348 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 979' ' ' LEU . 20.4 m-85 -89.06 -31.85 17.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 74.41 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -30.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 73.13 109.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' 1015 ' ' TYR . 36.2 mm-40 -60.69 -51.16 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 73.34 110.307 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1018 ' ' CYS . . . . . 0.465 ' CA ' HD23 ' A' 1020 ' ' LEU . 3.6 m -97.08 90.03 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 72.21 108.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 28.3 p -107.91 34.78 3.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 63.33 108.323 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -83.7 -44.88 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.13 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -87.71 18.43 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 74.3 110.984 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 3.4 t -88.56 98.72 11.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 65.35 110.0 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.48 93.51 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.24 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -81.11 -178.37 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 73.25 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 75.14 109.281 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.99 -0.844 . . . . 65.54 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.7 37.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 75.54 111.026 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -147.69 161.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 73.21 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 138.89 150.19 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 64.11 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 2.7 p -175.86 175.1 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 73.45 110.006 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.45 -175.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.41 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -151.67 165.27 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 75.33 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' 1007 ' ' PRO . 4.7 m120 56.92 55.92 5.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.13 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 126.85 12.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 73.44 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.424 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.3 Cg_endo -74.95 0.91 8.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 62.25 111.039 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.7 t -85.6 -26.07 26.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 75.31 109.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.5 OUTLIER -86.77 -25.46 24.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 75.13 109.301 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 991' ' ' PHE . 0.5 OUTLIER -99.69 153.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.55 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.521 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.6 158.93 43.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 71.2 110.414 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.49 137.89 38.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 74.33 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.447 ' CD1' HG22 ' A' ' 990' ' ' VAL . 0.9 OUTLIER -132.87 176.84 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.34 109.329 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.1 t -91.47 117.79 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.021 -0.991 . . . . 62.33 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -49.34 -59.07 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 74.51 109.303 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -45.71 -61.2 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 73.33 109.301 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 911' ' ' SER . 82.0 m -95.93 -100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.41 108.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.2 t 154.26 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 64.22 110.0 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.17 133.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.24 109.272 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.521 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -64.95 107.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 75.32 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -86.88 -35.67 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.41 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -178.16 163.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.24 108.359 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.454 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.96 156.06 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 73.04 109.992 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.52 -47.7 36.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 42.5 110.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 6.8 pt-20 -60.95 -26.84 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 75.33 110.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.5 t0 -93.27 28.77 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 73.52 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.23 157.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 75.14 109.264 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.561 ' CE1' HD13 ' A' 1013 ' ' LEU . 19.2 m80 -120.54 168.85 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.03 109.617 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 23.1 t -130.67 163.82 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.23 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.632 ' CD1' ' CZ ' ' A' 1015 ' ' TYR . 2.6 mm -128.0 103.69 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 74.33 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 923' ' ' ILE . 4.9 pt-20 37.38 41.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 73.34 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.475 ' CE ' ' ND2' ' A' 1012 ' ' ASN . 6.4 mmtp 40.1 51.52 2.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 74.12 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.489 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 11.4 ptm -131.63 -40.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 73.53 111.061 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 926' ' ' MET . 16.9 m170 -130.67 178.31 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 75.12 109.586 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.553 ' ND1' ' CD1' ' A' 1003 ' ' TRP . 7.7 p-80 -134.41 105.51 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 75.01 109.603 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.94 128.53 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 71.13 109.363 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -95.77 95.79 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.43 109.275 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.9 mmt -85.93 47.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.11 110.976 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.7 OUTLIER -104.72 125.28 34.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 72.22 110.413 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.2 Cg_endo -74.94 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 75.5 110.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -34.53 71.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 75.14 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 69.5 t80 -61.25 -18.73 59.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 75.2 110.997 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.585 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.2 ptpt -67.78 -16.38 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.21 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.68 0.55 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 74.32 110.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 935' ' ' PHE . 8.0 mt -107.39 -25.79 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.11 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -114.48 149.42 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.31 110.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.7 137.3 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.22 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 960' ' ' ILE . 2.2 t -99.04 134.65 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.33 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.449 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.2 OUTLIER -114.9 131.66 56.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.13 110.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.69 104.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 65.33 110.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.2 t30 -152.92 128.46 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 72.22 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -96.65 -7.32 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.04 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.13 -12.88 43.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 53.01 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -101.27 -75.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.42 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.537 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -52.11 148.63 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 75.53 110.279 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.443 ' NZ ' ' CB ' ' A' ' 949' ' ' LYS . 2.3 mtmp? -135.25 9.59 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 75.43 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.526 ' H ' ' NE2' ' A' ' 948' ' ' GLN . 28.5 mttt 67.95 57.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 75.33 109.261 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.59 125.5 35.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.25 108.318 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.79 -37.81 79.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 70.42 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -44.65 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 74.33 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . 0.477 ' CD1' ' HE3' ' A' ' 972' ' ' MET . 37.3 m-85 -138.66 85.94 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 74.05 111.04 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' A' ' 956' ' ' ILE . 19.9 tp60 -67.32 125.12 25.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 75.3 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -103.36 153.96 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 75.01 109.29 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -113.83 -15.64 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 74.54 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.97 -140.84 7.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 71.41 110.986 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.29 146.84 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 71.12 110.298 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 939' ' ' TYR . 10.9 pt -102.49 134.13 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 75.13 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 27.3 pt -138.22 145.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.51 109.29 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.3 -174.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.262 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -61.16 -51.38 69.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 73.44 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.0 m -56.02 -35.1 66.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 62.25 108.257 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.64 39.4 1.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 50.34 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -97.83 119.89 37.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 63.43 110.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.461 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -51.65 95.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.33 109.267 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.655 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.1 m0 -71.31 -30.68 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.41 107.972 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.82 -122.27 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 71.41 111.018 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.09 153.66 36.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 72.02 110.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.422 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 20.5 tpp -97.27 90.98 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 73.23 111.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.477 ' HE3' ' CD1' ' A' ' 954' ' ' TYR . 12.8 mtp -82.65 156.0 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.32 110.975 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 14.3 t -124.68 148.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 74.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.696 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 2.5 t-80 -137.83 104.23 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 70.3 109.584 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 9.0 mmtm 61.91 21.28 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.4 109.259 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 101.22 -2.54 54.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 73.21 110.974 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.429 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 1.6 tt -79.32 166.9 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 72.14 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -109.97 115.41 29.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.53 109.258 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.547 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 0.0 OUTLIER -132.3 96.56 19.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.32 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.422 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.02 117.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 75.32 110.981 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.79 103.81 15.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.54 108.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.56 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -84.2 169.12 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 73.22 109.314 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 22.1 mttt -131.54 121.83 25.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 74.21 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.564 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.1 mt -58.57 -21.11 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.05 109.284 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -71.0 -6.48 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 71.22 110.292 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.9 m-20 -124.13 -1.5 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 71.33 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.655 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 27.5 m-85 -121.22 -176.2 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.52 110.985 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.37 159.09 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.11 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.88 114.58 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 74.55 109.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 906' ' ' LEU . 3.0 t -114.06 123.62 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 74.41 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 903' ' ' ILE . 62.5 m-85 -80.5 139.06 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 71.42 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 902' ' ' LEU . 24.9 ttpp -85.96 -36.5 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 73.54 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.403 ' ND2' HD23 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -41.02 -55.19 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 72.55 109.301 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.53 155.16 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.44 109.343 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 1.2 p -66.76 87.67 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 73.12 110.041 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.464 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 2.1 m -145.78 153.94 41.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 73.52 110.44 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -133.75 112.38 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 65.41 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.57 130.29 54.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.52 109.312 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.13 110.83 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 74.41 110.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.482 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.1 m-85 -102.88 -172.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.11 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.476 ' CA ' HG23 ' A' ' 984' ' ' ILE . 53.4 pttt -125.69 -48.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 75.44 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 21.1 mttm -118.97 157.59 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 70.31 109.343 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.564 ' CE3' HG13 ' A' ' 984' ' ' ILE . 20.2 m95 -69.72 -24.97 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 72.41 107.995 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.8 p -60.57 -21.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 63.11 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.73 -26.16 44.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.35 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' 1010 ' ' PHE . 6.9 tp -60.29 110.95 3.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.42 109.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.93 -0.89 10.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 71.22 111.027 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -93.48 130.73 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 70.25 109.266 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.5 t -66.64 158.61 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 72.45 110.41 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' 1006 ' ' LEU . 7.5 m-85 -129.71 165.74 30.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 75.41 111.047 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1011 ' ' PRO . . . . . 0.442 ' O ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.93 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.31 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1012 ' ' ASN . . . . . 0.475 ' ND2' ' CE ' ' A' ' 925' ' ' LYS . 0.7 OUTLIER -146.79 106.32 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.32 109.284 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -120.75 123.71 43.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.55 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.417 ' N ' HD23 ' A' 1013 ' ' LEU . 36.3 m-20 -111.52 166.04 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 64.44 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.696 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 11.4 m-85 -89.17 -60.14 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 72.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.3 t -40.03 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.44 110.034 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' 1015 ' ' TYR . 4.2 mm-40 -38.95 -50.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 54.54 110.256 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 78.9 m -102.07 161.32 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 65.41 108.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 8.9 p -115.14 25.15 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 75.23 108.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' 1020 ' ' LEU . 4.0 mt -47.14 -52.11 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 75.14 109.331 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 975' ' ' LYS . 51.4 m-85 -37.25 -34.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 75.2 111.02 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1021 ' ' PHE . 44.5 t 38.54 45.38 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.12 109.988 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -40.42 -37.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 74.15 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.89 177.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 74.11 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 65.53 109.313 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.986 -0.846 . . . . 42.1 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.0 -13.45 21.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 74.55 110.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 892' ' ' PRO . 5.3 mp -40.45 134.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 72.13 109.273 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 133.73 132.33 3.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 72.11 110.964 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 6.3 p -175.87 177.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 75.11 109.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 896' ' ' TYR . 4.7 m-30 -51.97 -175.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 75.44 111.023 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 898' ' ' ASN . 30.1 ttpt -168.46 168.06 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 73.14 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.8 m120 61.75 52.07 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 74.42 109.257 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -145.23 126.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 70.12 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.427 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -74.97 1.91 7.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 72.33 111.048 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 29.2 t -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 72.12 110.009 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.498 ' CD2' ' ND2' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -90.54 -25.35 20.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 73.43 109.274 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -97.5 157.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 74.42 109.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.511 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.5 158.83 44.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 73.44 110.379 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.5 m-30 -100.35 139.23 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.52 111.047 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' A' ' 990' ' ' VAL . 0.7 OUTLIER -133.25 177.39 7.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 72.14 109.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 47.6 t -89.84 123.73 34.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.978 -1.01 . . . . 75.24 110.884 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.57 -59.5 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 72.13 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -46.53 -59.81 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.14 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.6 m -97.02 -101.14 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 72.42 108.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.5 OUTLIER 154.46 41.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 62.14 110.019 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.06 133.72 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 72.52 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.511 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -62.35 106.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 72.03 109.287 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.433 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.33 -35.71 19.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 75.23 109.359 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -176.74 165.51 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 74.1 108.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 60.4 p -108.63 157.11 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.4 109.942 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.87 -52.29 43.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 52.34 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.427 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.1 pp20? -55.17 -28.95 56.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 72.31 110.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.39 28.06 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.23 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.45 150.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.24 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' 1013 ' ' LEU . 33.5 m80 -114.94 178.66 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 75.53 109.608 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.1 t -135.44 156.68 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 65.31 109.31 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' 1013 ' ' LEU . 6.8 mm -131.67 115.19 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 72.52 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 926' ' ' MET . 68.2 mm-40 51.54 29.05 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 75.14 110.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.457 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 43.91 27.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 75.4 109.289 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 21.9 ptm -126.6 -41.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 75.52 111.017 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.468 ' N ' ' CG ' ' A' ' 926' ' ' MET . 28.9 m170 -114.45 134.94 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 75.22 109.577 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -105.11 110.43 22.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 74.23 109.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.98 134.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 71.52 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.463 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 65.2 t30 -99.45 96.01 7.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 74.13 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.1 mtt -83.07 47.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.13 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.94 127.2 28.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 71.14 110.442 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.36 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 75.43 111.027 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.1 -34.55 66.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.22 110.277 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 64.9 t80 -59.29 -21.52 59.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 74.3 110.986 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.599 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -64.62 -16.16 62.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 72.41 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.3 5.87 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.11 110.281 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.55 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 8.0 mt -113.2 -14.57 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.24 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -127.65 149.48 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.4 111.009 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.4 mt -124.09 138.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.52 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' ' 960' ' ' ILE . 2.1 t -104.99 129.25 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 75.45 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -103.25 143.56 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 75.23 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.46 104.61 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 75.22 110.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.472 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.5 t30 -154.44 130.13 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.33 109.243 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -96.63 -8.17 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.01 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.24 -13.33 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 52.43 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.472 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -102.79 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.11 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.527 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -60.08 162.19 6.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 75.24 110.297 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 11.4 mtpt -147.47 -175.91 5.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.23 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 952' ' ' ALA . 12.1 mttm -107.52 -76.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.32 109.276 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 8.5 m -52.03 93.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 65.14 108.323 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.31 -178.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 73.11 109.317 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.57 -26.7 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 52.24 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -111.26 95.46 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.53 110.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.503 HE22 ' NE2' ' A' ' 948' ' ' GLN . 7.6 tp60 -66.99 141.71 57.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.42 110.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.527 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -118.15 157.08 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.22 109.268 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -99.45 -27.08 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 74.04 109.312 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.09 -137.52 5.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 74.24 111.009 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -125.02 135.21 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 73.21 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.543 HG22 ' CD1' ' A' ' 939' ' ' TYR . 20.3 pt -93.52 138.18 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 71.3 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 15.6 pt -138.81 149.4 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 74.51 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.73 -174.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 75.31 108.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -62.55 -51.42 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 70.35 109.294 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 11.8 m -56.02 -32.7 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.44 108.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 109.89 39.68 1.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 71.04 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -97.35 124.71 41.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 74.21 110.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.458 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -55.28 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.53 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.706 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.3 m0 -67.79 -42.67 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.43 108.03 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 175.62 -118.85 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 72.11 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.81 164.1 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 65.4 110.404 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.466 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 27.6 tpp -109.54 97.09 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.13 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 15.0 mtp -81.73 153.18 26.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.33 111.023 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 955' ' ' GLN . 12.8 t -121.39 151.42 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 71.34 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -136.8 92.56 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.22 109.6 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm 61.08 23.77 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.12 109.27 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.16 -1.09 33.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.464 1.103 . . . . 63.15 111.0 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.475 HD12 ' CZ ' ' A' 1021 ' ' PHE . 1.0 OUTLIER -79.07 167.39 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.805 . . . . 75.44 109.311 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.424 ' N ' HD21 ' A' ' 977' ' ' LEU . 2.4 m-20 -117.87 119.58 35.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 73.24 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -138.43 96.26 9.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 73.33 109.315 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.427 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 75.11 110.963 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.13 111.67 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 70.21 108.309 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.565 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.3 mp -98.5 145.32 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.52 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.1 OUTLIER -106.26 126.02 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.23 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.569 HD13 ' CE3' ' A' 1003 ' ' TRP . 1.3 mt -59.15 -26.85 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.42 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.494 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -66.88 -7.61 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 74.32 110.285 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.7 m-20 -117.95 -5.77 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 62.41 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.706 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 26.6 m-85 -121.29 -176.09 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 73.32 110.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . 0.407 HG23 ' NE2' ' A' ' 999' ' ' GLN . 13.3 t -137.34 162.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.32 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' 1000 ' ' TYR . 2.8 t -120.73 123.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 64.55 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 906' ' ' LEU . 1.2 t -115.0 122.57 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 74.24 109.298 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.452 ' CD1' HG22 ' A' ' 903' ' ' ILE . 51.2 m-85 -90.04 117.33 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 72.55 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -81.51 -17.31 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 73.22 109.285 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' A' ' 902' ' ' LEU . 1.5 m-80 -99.83 -53.56 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 63.23 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -64.57 -13.36 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 73.01 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 996' ' ' THR . 13.4 m 53.24 56.76 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 72.31 109.973 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 995' ' ' SER . 79.8 m -157.88 173.43 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 74.53 110.375 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -134.3 113.95 12.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 72.42 109.291 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.07 169.81 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.53 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . 0.407 ' NE2' HG23 ' A' ' 988' ' ' VAL . 14.5 tt0 -136.08 106.96 6.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 73.02 110.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.483 ' CD1' HG22 ' A' ' 989' ' ' VAL . 74.2 m-85 -95.63 -173.09 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 75.43 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.469 ' CA ' HG23 ' A' ' 984' ' ' ILE . 37.5 pttt -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 73.43 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 14.6 mttm -119.97 158.37 26.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.01 109.332 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.569 ' CE3' HD13 ' A' ' 984' ' ' ILE . 38.0 m95 -69.17 -19.84 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 75.53 108.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.3 p -69.92 -24.85 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 73.31 109.292 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.03 -18.44 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 74.53 110.301 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.71 115.29 31.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 62.32 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -1.36 11.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.33 110.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -90.84 133.57 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 75.41 109.279 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.2 t -70.63 152.93 43.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 75.55 110.38 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -133.18 164.12 46.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.55 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.43 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.44 110.982 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.62 104.99 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 71.54 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 923' ' ' ILE . 0.0 OUTLIER -118.62 122.52 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 74.54 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.462 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 9.4 t0 -133.96 115.24 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 71.21 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' 1014 ' ' ASP . 1.2 p90 -36.58 -45.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 71.33 111.016 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.6 t -39.87 -50.3 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 74.15 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -38.97 -47.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 74.22 110.266 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 50.4 m -97.45 135.36 39.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 71.23 108.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 4.9 p -124.79 68.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 73.41 108.309 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' 1020 ' ' LEU . 1.5 mt -100.89 -38.86 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 75.44 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.475 ' CZ ' HD12 ' A' ' 977' ' ' LEU . 17.9 m-85 -64.13 -10.8 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 74.45 111.022 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.43 46.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.11 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.86 -16.02 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 64.21 109.304 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.12 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 71.32 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.11 109.336 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.96 -0.856 . . . . 53.44 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 72.22 110.966 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 893' ' ' LEU . 1.9 mm? -122.51 -175.33 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 62.43 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -148.84 127.38 2.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 63.23 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 35.2 t -173.25 157.21 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 75.32 110.013 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 54.25 50.54 16.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 74.02 110.969 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -114.15 24.58 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 73.31 109.286 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' 1007 ' ' PRO . 11.9 t-20 -93.09 23.67 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.33 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.82 129.19 24.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 73.44 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.422 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -75.03 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 51.21 110.981 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.2 t -84.64 -23.6 29.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 74.34 110.038 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.412 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -87.99 -28.86 21.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 73.1 109.326 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -96.47 152.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 74.22 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.507 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.06 160.02 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 74.43 110.404 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.523 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.2 m-30 -100.79 141.12 34.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.31 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 987' ' ' PHE . 0.8 OUTLIER -135.65 176.32 8.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 73.22 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.3 t -91.37 120.56 32.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.99 -1.004 . . . . 60.23 110.92 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -51.31 -60.37 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 73.31 109.285 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -45.65 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 72.22 109.29 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.1 m -97.92 -100.46 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.21 108.259 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.3 t 153.15 42.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 70.14 110.034 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.97 130.8 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 74.5 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.507 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.2 tm? -60.69 107.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 73.11 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD21 ' A' ' 913' ' ' LEU . . . -87.84 -34.61 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 73.15 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.78 160.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 72.31 108.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.463 ' CB ' HG22 ' A' ' 904' ' ' THR . 0.7 OUTLIER -105.52 157.5 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 63.33 110.036 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.0 -45.52 56.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 73.41 111.007 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 0.3 OUTLIER -63.05 -28.77 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 0.763 . . . . 63.45 110.324 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.14 31.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 71.32 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.523 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.57 144.42 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 75.31 109.363 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.445 ' HB3' ' CB ' ' A' 1013 ' ' LEU . 71.5 m80 -111.7 148.92 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 75.43 109.624 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 928' ' ' HIS . 71.2 t -112.74 163.9 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 73.1 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.557 HD13 ' CE2' ' A' 1015 ' ' TYR . 6.2 mm -126.04 105.2 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.43 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 35.7 mm-40 37.84 44.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 75.32 110.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.454 ' NZ ' ' OD1' ' A' 1012 ' ' ASN . 10.2 mmtm 39.96 50.57 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 71.22 109.295 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.479 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 3.8 ptm -133.71 -40.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 74.33 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.479 ' N ' ' CG ' ' A' ' 926' ' ' MET . 23.1 m80 -135.79 148.04 48.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 72.13 109.631 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.572 ' CD2' HG22 ' A' ' 922' ' ' VAL . 2.0 t-160 -112.39 105.46 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 74.51 109.581 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 6.2 m -110.73 140.36 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 75.13 109.261 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.447 ' ND2' ' CG ' ' A' ' 935' ' ' PHE . 59.0 t30 -99.55 95.42 6.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 75.43 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 9.1 mtt -83.98 47.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.04 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 1.2 m -109.85 126.77 28.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 72.12 110.43 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 74.45 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.83 -24.89 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.21 110.244 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.447 ' CG ' ' ND2' ' A' ' 930' ' ' ASN . 67.2 t80 -75.82 -21.46 57.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.54 111.011 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 9.2 ptpt -64.67 -14.41 58.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 72.01 109.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.81 5.73 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.01 110.314 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.598 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 5.4 mt -113.91 -13.46 12.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 75.1 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.639 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -124.01 149.3 46.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.04 110.969 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.93 139.51 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 74.54 109.272 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 960' ' ' ILE . 2.2 t -108.67 138.68 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 73.43 109.276 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.471 ' NE ' ' CD1' ' A' ' 961' ' ' ILE . 0.0 OUTLIER -113.28 147.68 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 72.22 110.324 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.32 104.9 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 72.3 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.9 t30 -155.87 131.72 9.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 72.21 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -96.67 -9.21 29.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.42 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -61.7 -14.39 31.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 71.53 109.278 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.4 mm? -103.67 -76.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.45 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.549 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -54.49 161.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 75.01 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 15.2 mttm -146.24 -176.7 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 74.05 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 952' ' ' ALA . 0.5 OUTLIER -104.23 -78.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 75.13 109.344 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 42.7 t -51.69 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.41 108.269 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.4 176.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 65.15 109.286 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -106.07 -30.08 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 74.31 109.276 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . 0.5 ' CD1' ' HE1' ' A' ' 972' ' ' MET . 11.4 m-85 -107.33 93.3 4.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 74.1 110.973 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.542 HE22 ' NE2' ' A' ' 948' ' ' GLN . 9.2 tp60 -66.83 133.04 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 75.52 110.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.549 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -106.0 158.22 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.32 109.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -103.98 -24.58 13.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 74.4 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.23 6.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 71.21 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -120.37 136.08 54.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 74.43 110.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 939' ' ' TYR . 5.9 pt -96.54 134.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 74.32 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.471 ' CD1' ' NE ' ' A' ' 942' ' ' ARG . 33.7 pt -136.76 150.95 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.22 109.247 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.62 -174.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 75.0 108.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 4.2 mmmm -60.66 -52.03 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 75.14 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.77 -38.13 66.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 65.21 108.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 116.76 30.9 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 52.21 110.982 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -87.02 127.91 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 65.04 110.282 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 986' ' ' ASN . . . -58.02 94.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 73.04 109.365 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 5.3 m0 -69.81 -44.31 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.12 108.031 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.41 -116.45 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 64.12 110.99 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' THR . . . . . 0.472 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.9 OUTLIER -152.99 166.0 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 74.21 110.346 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 21.1 tpp -112.84 102.35 10.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.43 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' MET . . . . . 0.5 ' HE1' ' CD1' ' A' ' 954' ' ' TYR . 26.3 mtp -84.84 159.54 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.03 111.016 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 955' ' ' GLN . 25.4 t -122.77 147.67 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 71.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.661 ' CD2' ' CD1' ' A' 1015 ' ' TYR . 0.0 OUTLIER -133.75 90.5 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 62.24 109.554 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 975' ' ' LYS . 3.3 mtmp? 60.92 23.9 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.03 109.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 109.37 -3.78 31.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 64.43 110.978 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.667 ' CD1' ' CZ ' ' A' 1021 ' ' PHE . 2.5 tt -79.01 167.34 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 75.42 109.306 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -115.12 118.9 34.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 73.03 109.307 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -131.28 96.21 22.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.4 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.429 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 113.75 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.54 111.045 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.25 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.2 108.295 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -97.78 157.7 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 71.52 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.429 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 8.2 mttt -118.5 122.33 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.42 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.576 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -60.39 -17.74 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 75.45 109.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.5 -12.28 61.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.45 110.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 70.3 m-20 -119.36 -4.26 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.33 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.556 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 23.0 m-85 -116.36 -176.05 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.4 111.04 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.1 t -139.16 158.28 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 62.23 109.292 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.41 119.18 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 73.23 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.467 ' CG2' ' NZ ' ' A' ' 997' ' ' LYS . 3.0 t -116.5 124.34 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.24 109.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -82.28 137.56 34.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.41 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -85.83 -34.42 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 74.34 109.311 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.412 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -41.09 -55.42 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 74.35 109.278 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -139.9 155.9 46.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 75.24 109.339 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 2.2 t -61.57 91.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 63.41 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 2.3 m -148.47 142.89 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.42 110.382 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . 0.467 ' NZ ' ' CG2' ' A' ' 990' ' ' VAL . 8.4 ttmm -125.46 111.08 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 70.12 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.82 146.12 30.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 61.22 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -124.17 110.52 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.23 110.333 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.2 m-85 -102.26 -169.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.44 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.472 ' CA ' HG21 ' A' ' 984' ' ' ILE . 15.3 pttp -125.84 -47.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.33 109.283 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 32.3 mttt -121.17 157.88 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 72.1 109.267 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.576 ' CE3' HG13 ' A' ' 984' ' ' ILE . 27.6 m95 -69.83 -24.71 63.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.34 108.003 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.7 p -61.43 -24.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 65.31 109.235 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -74.14 -26.48 60.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 75.31 110.333 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.27 110.86 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 73.32 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.04 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 74.41 111.009 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.499 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.43 139.78 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 73.13 109.26 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -75.26 158.58 32.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.24 110.407 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.411 ' CE2' ' CE1' ' A' ' 928' ' ' HIS . 14.0 m-85 -137.96 166.29 27.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.42 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1011 ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.98 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.52 111.0 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1012 ' ' ASN . . . . . 0.454 ' OD1' ' NZ ' ' A' ' 925' ' ' LYS . 1.1 m-80 -146.19 105.27 3.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 61.24 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -111.23 128.84 56.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 64.33 109.261 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.88 163.86 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 71.53 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.661 ' CD1' ' CD2' ' A' ' 974' ' ' HIS . 33.4 m-85 -89.3 -42.62 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.23 110.994 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.2 -32.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 55.23 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.55 -52.92 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.44 110.307 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.6 m -98.57 118.39 35.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 64.2 108.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 8.2 t -115.13 46.04 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.42 108.269 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' 1022 ' ' SER . 0.6 OUTLIER -99.52 -42.99 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 71.4 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.667 ' CZ ' ' CD1' ' A' ' 977' ' ' LEU . 13.7 m-85 -37.77 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 71.22 110.983 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' 1020 ' ' LEU . 13.0 t -40.44 107.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.32 109.964 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -130.48 20.97 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.12 109.304 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.31 173.05 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 62.32 110.29 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 70.05 109.328 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.957 -0.857 . . . . 61.2 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.61 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 73.4 111.026 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.65 -76.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.14 109.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 152.25 171.7 20.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 71.13 111.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 12.9 m -168.2 -174.45 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 73.41 110.03 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -69.91 -178.92 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 75.42 111.02 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -156.58 175.78 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.23 109.3 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.59 31.41 18.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 73.42 109.308 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -125.14 124.11 25.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 74.33 109.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 0.99 8.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 63.52 110.995 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 27.4 t -86.36 -25.55 25.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 75.52 110.025 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -23.88 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.51 109.248 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -98.65 156.49 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.25 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.508 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.7 157.88 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.14 110.363 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.3 m-30 -100.24 140.25 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 72.53 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.92 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 75.03 109.3 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -88.84 126.34 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.998 -1.001 . . . . 73.42 110.893 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -55.68 -61.1 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 73.01 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -45.49 -57.34 4.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 109.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 911' ' ' SER . 77.9 m -99.96 -102.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.32 108.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.6 m 155.65 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 73.3 109.969 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.25 131.28 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.13 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.508 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -59.25 107.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 72.05 109.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.439 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -35.17 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 72.53 109.327 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 914' ' ' ALA . 1.0 OUTLIER -179.44 160.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 63.33 108.279 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 46.7 p -104.26 158.12 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 74.43 109.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -50.32 -51.92 29.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 64.02 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.8 pt-20 -60.42 -25.39 65.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 74.41 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.83 28.18 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 72.23 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.573 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.8 mm -133.18 148.87 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 75.02 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' 1013 ' ' LEU . 18.3 m80 -118.77 156.95 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 63.22 109.611 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 923' ' ' ILE . 78.0 t -123.02 163.26 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 64.3 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.427 ' N ' HG11 ' A' ' 922' ' ' VAL . 11.6 mm -121.02 108.57 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 75.45 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 18.1 mm-40 37.56 40.96 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 74.24 110.34 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp 41.44 51.4 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 73.33 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.566 ' HG3' ' CD2' ' A' ' 927' ' ' HIS . 11.6 ptm -135.81 -40.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 74.32 110.972 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 926' ' ' MET . 51.1 m-70 -124.14 165.14 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 74.42 109.585 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.578 ' CG ' ' CD1' ' A' 1003 ' ' TRP . 0.6 OUTLIER -124.56 102.76 7.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.11 109.576 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.54 135.75 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 71.21 109.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.418 ' OD1' ' CD1' ' A' ' 920' ' ' ILE . 67.2 t30 -101.22 96.08 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 74.12 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 10.3 mtt -83.49 47.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 75.34 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.6 OUTLIER -103.96 124.95 35.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 70.15 110.418 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . 0.462 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -74.99 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.445 1.76 . . . . 75.21 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -59.94 -27.18 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 74.12 110.26 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.56 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 80.5 t80 -70.19 -19.29 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.42 110.963 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 5.2 ptpt -65.68 -17.23 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.42 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.9 4.33 31.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 71.22 110.315 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.553 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 18.6 mt -109.0 -12.52 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.32 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -126.5 148.98 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.25 111.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.47 135.94 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.53 109.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -98.35 127.5 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.22 109.272 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -105.66 121.55 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 75.11 110.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -42.85 104.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 72.31 110.341 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.436 ' ND2' HD21 ' A' ' 947' ' ' LEU . 1.7 t30 -154.74 115.88 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 75.43 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -90.25 -7.48 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 63.14 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -66.43 -10.07 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 74.11 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.436 HD21 ' ND2' ' A' ' 944' ' ' ASN . 1.2 mm? -105.3 -59.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.14 109.286 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.579 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -74.88 146.03 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 73.3 110.272 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.579 ' N ' HE21 ' A' ' 948' ' ' GLN . 7.6 mmmm -136.81 -175.47 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 64.11 109.319 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 952' ' ' ALA . 27.3 mttt -105.14 -77.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 75.41 109.302 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 17.2 p -49.38 96.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.02 108.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -178.25 -176.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 64.41 109.286 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -110.86 -27.5 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 73.11 109.235 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.95 96.27 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 73.31 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 973' ' ' VAL . 19.7 tp60 -67.32 131.31 45.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.44 110.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.52 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -107.08 158.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 73.42 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -104.18 -24.71 13.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 73.33 109.312 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 163.15 -142.33 7.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 72.23 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -122.39 134.9 54.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 0.798 . . . . 74.02 110.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.553 HG23 ' CD1' ' A' ' 939' ' ' TYR . 7.0 pt -95.34 130.09 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 74.04 109.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 25.7 pt -132.59 148.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 75.14 109.263 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -65.84 -174.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 60.31 108.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.2 mmmm -59.48 -51.98 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 64.04 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.74 -38.02 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 75.2 108.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.03 32.55 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 73.33 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 968' ' ' TRP . 27.8 tp60 -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 70.44 110.235 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -54.34 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 71.23 109.254 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.702 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -66.33 -42.97 87.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 72.32 108.025 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 176.65 -117.33 0.59 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 62.2 110.983 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.84 161.73 41.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 75.42 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.435 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 26.1 tpp -105.45 94.78 5.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.04 111.014 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 10.1 mtp -81.89 155.24 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 73.22 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 14.8 t -127.64 148.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 74.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.488 ' NE2' ' CD1' ' A' 1015 ' ' TYR . 0.0 OUTLIER -136.57 102.09 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 74.23 109.628 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.22 22.59 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.52 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.84 1.7 49.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 63.45 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.474 HD11 ' CE1' ' A' 1021 ' ' PHE . 11.1 tp -79.38 166.64 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 72.15 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -114.95 115.48 26.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 71.33 109.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.25 96.58 11.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 74.22 109.269 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.406 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -75.01 120.21 5.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 73.13 111.034 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.8 112.75 24.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.3 108.288 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.2 mp -99.93 145.54 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 74.02 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.3 OUTLIER -107.75 126.63 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 73.04 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.57 HD12 ' CE3' ' A' 1003 ' ' TRP . 1.6 mt -58.71 -28.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 75.54 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.5 ptt-85 -64.6 -8.67 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 74.44 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -117.77 -3.35 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.14 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.702 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.5 m-85 -123.82 -176.27 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.42 111.049 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.79 162.33 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 73.34 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' 1000 ' ' TYR . 3.1 t -119.3 129.3 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.55 109.319 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 906' ' ' LEU . 0.9 OUTLIER -121.1 119.29 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.53 109.37 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.461 ' CD1' HG23 ' A' ' 903' ' ' ILE . 72.6 m-85 -89.42 124.83 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 75.23 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -86.55 -11.69 50.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 73.42 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.33 -56.22 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.12 109.319 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.97 -13.35 59.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.42 109.311 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 58.0 m 54.36 52.14 13.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 73.34 110.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.458 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 55.7 m -152.44 174.73 13.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 55.03 110.401 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 990' ' ' VAL . 7.2 ttmt -134.19 115.52 14.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 75.51 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.458 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 2.1 mptm? -107.68 163.99 12.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 64.33 109.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -128.82 108.92 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 74.3 110.36 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.465 ' CD1' HG23 ' A' ' 989' ' ' VAL . 87.9 m-85 -99.68 -173.21 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.32 111.013 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.471 ' CA ' HG23 ' A' ' 984' ' ' ILE . 39.1 pttt -125.12 -49.89 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 74.53 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1002 ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' 1001 ' ' LYS . 53.9 mttt -118.54 158.91 24.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 73.33 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.578 ' CD1' ' CG ' ' A' ' 928' ' ' HIS . 33.8 m95 -70.06 -21.37 63.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.027 -1.101 . . . . 75.41 108.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.2 p -67.46 -26.12 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 64.35 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.53 110.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.48 113.96 24.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 75.25 109.302 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 70.34 110.986 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.439 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -91.13 131.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.22 109.279 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -65.54 157.92 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 75.15 110.395 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -134.66 161.39 63.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.23 111.031 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1011 ' ' PRO . . . . . 0.442 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.95 -168.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 74.54 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1012 ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' 1011 ' ' PRO . 2.5 m-80 -147.42 104.46 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 75.41 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.58 122.54 41.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 74.44 109.315 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1014 ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' 1015 ' ' TYR . 10.1 t0 -128.51 115.16 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 74.12 109.312 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.488 ' CD1' ' NE2' ' A' ' 974' ' ' HIS . 1.2 p90 -36.45 -45.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 74.34 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.9 t -39.22 -50.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 70.1 109.956 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -38.8 -47.36 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 71.22 110.306 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 99.0 m -105.86 119.04 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 71.32 108.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 84.1 m -99.47 73.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 72.43 108.282 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 4.0 mt -105.46 -38.52 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.11 109.249 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.474 ' CE1' HD11 ' A' ' 977' ' ' LEU . 4.4 m-85 -76.33 0.85 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 71.34 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.42 46.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.12 110.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -109.0 -25.04 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 74.43 109.283 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -51.36 169.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 62.32 110.244 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 72.41 109.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 74.22 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 72.31 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.82 50.04 18.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 74.23 109.284 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -129.85 141.47 12.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 64.43 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 46.5 t -129.32 -75.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 71.41 109.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.29 169.92 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 73.42 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -146.84 -178.31 6.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.32 109.337 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 26.0 t-20 61.24 20.49 11.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 74.12 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.73 126.31 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 74.55 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.5 Cg_endo -74.9 -0.3 9.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 75.41 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -83.04 -27.18 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.41 109.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.416 HD13 ' ND2' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -86.93 -23.68 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.23 109.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.02 155.54 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 73.1 109.297 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.52 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.11 160.01 42.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 71.42 110.381 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.565 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.4 m-30 -100.08 139.6 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 111.017 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 990' ' ' VAL . 1.0 OUTLIER -134.0 176.47 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 75.21 109.341 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.9 t -91.71 122.1 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 74.52 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -53.14 -58.47 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.12 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -47.37 -58.42 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 72.03 109.324 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -98.45 -100.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 73.35 108.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.7 OUTLIER 153.55 42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 55.22 110.004 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.54 135.24 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.13 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.52 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -64.95 106.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 74.15 109.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 913' ' ' LEU . . . -87.41 -34.8 18.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 70.3 109.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.87 161.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 73.44 108.266 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.414 ' CB ' HG22 ' A' ' 904' ' ' THR . 6.0 t -106.24 161.64 14.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.52 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -55.15 -50.12 60.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 53.3 110.974 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -58.31 -23.49 56.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 73.32 110.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.2 27.87 3.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.41 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.565 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -132.94 156.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' 1013 ' ' LEU . 0.4 OUTLIER -119.5 -179.31 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.23 109.635 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' 1013 ' ' LEU . 40.5 t -140.95 149.17 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 74.33 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.516 HD12 ' CE2' ' A' 1015 ' ' TYR . 2.1 mm -117.08 112.36 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 73.3 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 925' ' ' LYS . 11.3 mm-40 42.88 38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 72.42 110.286 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.499 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.1 OUTLIER 38.98 45.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 65.52 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.485 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 9.8 ptm -133.85 -40.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 73.24 110.965 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.485 ' N ' ' CG ' ' A' ' 926' ' ' MET . 34.2 m80 -124.58 142.3 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 74.22 109.596 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' 1003 ' ' TRP . 57.5 m-70 -101.4 98.45 8.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 74.24 109.645 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.35 132.0 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 74.2 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -94.29 95.73 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.23 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.7 mmt -83.49 47.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 74.53 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.495 ' CG2' ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 122.3 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 51.23 110.389 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.73 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 75.54 111.015 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.88 -33.84 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.03 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 938' ' ' LEU . 73.8 t80 -60.05 -20.42 57.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 74.24 111.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 8.3 ptpt -66.04 -14.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.25 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -105.01 4.57 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 74.34 110.258 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 935' ' ' PHE . 11.3 mt -109.68 -20.32 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 63.24 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -118.27 151.01 38.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 70.44 111.006 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.62 136.21 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 73.22 109.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.2 t -94.08 131.86 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 73.04 109.327 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.436 ' HD3' ' CD1' ' A' ' 961' ' ' ILE . 0.4 OUTLIER -110.04 119.69 40.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 73.12 110.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.87 104.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.4 110.274 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.489 HD22 ' N ' ' A' ' 947' ' ' LEU . 1.5 t30 -156.28 115.4 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.41 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -86.61 -8.75 57.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 75.2 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.44 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.34 109.299 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.6 mm? -104.67 -60.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 75.35 109.255 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.583 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -75.55 146.91 40.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 72.44 110.262 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.583 ' N ' HE21 ' A' ' 948' ' ' GLN . 52.4 mtpt -136.91 -179.02 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 64.44 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 952' ' ' ALA . 0.2 OUTLIER -102.35 -78.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 74.43 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 43.9 t -50.08 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 55.31 108.338 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.41 -177.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 73.51 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 71.41 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -110.28 95.27 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 75.21 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 973' ' ' VAL . 36.6 tp60 -66.99 131.05 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 75.44 110.267 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.499 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -112.18 157.6 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 72.15 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -101.55 -25.88 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.1 109.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.54 -138.26 5.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 73.52 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.97 130.64 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 74.21 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 939' ' ' TYR . 13.1 pt -88.02 129.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.54 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -132.45 144.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.52 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.39 -175.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 60.32 108.284 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -61.76 -51.14 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 63.12 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.45 -35.2 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 71.22 108.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 113.47 37.17 1.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 70.45 110.967 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -96.56 121.43 38.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 64.34 110.345 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 961' ' ' ILE . . . -53.8 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 63.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.0 m0 -69.38 -36.8 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 74.01 107.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 171.4 -126.6 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 74.12 111.0 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.82 150.48 34.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 72.3 110.37 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.415 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 22.4 tpp -97.04 95.94 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 63.12 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 17.5 mtp -81.92 153.39 26.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 73.21 111.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 977' ' ' LEU . 3.6 t -132.06 138.98 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.44 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.509 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -126.39 100.32 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 71.15 109.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 2.2 mtmp? 60.28 22.56 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.52 109.322 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.33 37.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 73.45 110.968 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.493 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 15.4 tp -79.8 166.54 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 73.21 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -121.36 105.6 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 61.41 109.256 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.07 96.81 17.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 73.24 109.296 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 75.21 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.06 106.52 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.34 108.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.1 mp -89.01 165.67 14.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 72.13 109.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.2 mttt -125.31 121.88 35.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 70.2 109.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.554 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -60.41 -17.21 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.42 109.351 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.14 -11.84 60.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 74.31 110.305 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.1 m-20 -118.45 -2.97 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 74.05 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.57 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.6 m-85 -118.15 -176.66 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.43 111.037 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.1 t -138.97 158.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.25 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -122.73 119.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.51 109.238 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 906' ' ' LEU . 2.3 t -114.92 122.31 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 75.53 109.276 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.485 ' CD1' HG22 ' A' ' 903' ' ' ILE . 42.1 m-85 -83.46 135.64 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.32 111.017 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -85.35 -40.31 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.41 109.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.416 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.21 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -128.9 149.3 50.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.03 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' SER . . . . . 0.405 ' C ' ' OG1' ' A' ' 996' ' ' THR . 1.2 m -68.39 92.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 63.11 110.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' THR . . . . . 0.446 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 7.5 m -156.39 160.8 39.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 74.23 110.426 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -133.74 116.3 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 75.4 109.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . 0.446 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -107.35 129.19 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.13 109.297 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -106.81 111.23 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 73.44 110.356 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.5 m-85 -101.79 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.45 111.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.47 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.5 pttt -128.86 -46.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 74.2 109.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.37 156.97 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 74.23 109.316 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.554 ' CE3' HG13 ' A' ' 984' ' ' ILE . 38.3 m95 -68.56 -25.13 64.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 74.43 107.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 1.9 p -63.02 -31.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.43 109.311 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.24 -21.84 65.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.22 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.34 113.76 22.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 71.03 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 63.04 110.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.45 ' HA ' ' ND2' ' A' ' 898' ' ' ASN . 1.0 OUTLIER -86.79 132.54 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 75.21 109.313 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -73.89 139.7 45.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 71.4 110.389 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.43 ' HB3' ' CG2' ' A' ' 922' ' ' VAL . 15.6 m-85 -110.31 165.9 11.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 75.15 111.018 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -168.86 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 73.11 110.965 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -149.52 97.0 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.03 109.265 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1013 ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 921' ' ' HIS . 0.2 OUTLIER -76.77 -169.88 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 72.1 109.32 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.68 113.51 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 72.12 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.516 ' CE2' HD12 ' A' ' 923' ' ' ILE . 3.3 m-85 -38.1 -49.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.54 111.03 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.5 t -42.69 -46.73 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 54.25 109.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -39.23 -47.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 75.14 110.311 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 8.5 m -64.03 121.19 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 65.44 108.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 4.5 m -120.51 44.68 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 62.2 108.275 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' 1022 ' ' SER . 2.3 mt -86.91 -40.28 14.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 72.02 109.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1021 ' ' PHE . . . . . 0.479 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 14.4 m-85 -38.38 -29.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 75.13 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1022 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1020 ' ' LEU . 7.5 t -54.63 102.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 73.54 110.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -41.87 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 71.1 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -54.94 156.7 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 74.45 110.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 72.11 109.342 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.017 -0.833 . . . . 71.2 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 73.12 111.014 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 5.3 mp -147.58 179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 73.11 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -179.62 158.03 21.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.432 1.083 . . . . 53.35 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 56.8 m -100.15 -73.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 0.731 . . . . 73.02 110.015 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -122.29 158.99 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 74.1 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 897' ' ' LYS . . . . . 0.521 ' HG2' ' CE1' ' A' ' 991' ' ' PHE . 13.2 ttmt -132.47 20.8 4.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 65.54 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 898' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.8 t-20 -91.52 20.21 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 71.32 109.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -106.49 127.0 29.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 71.23 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 900' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.3 Cg_endo -75.04 0.34 9.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 71.11 111.023 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.6 t -84.57 -25.43 28.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 71.33 109.993 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' LEU . . . . . 0.415 HD11 ' ND2' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -88.6 -22.96 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.01 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 903' ' ' ILE . . . . . 0.509 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -102.29 150.63 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.33 109.299 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 904' ' ' THR . . . . . 0.524 ' CG2' ' CD2' ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.29 162.51 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 75.23 110.415 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.7 m-30 -99.06 140.86 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.3 110.964 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.8 OUTLIER -134.55 171.77 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 75.42 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.6 t -89.79 119.47 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.98 -1.009 . . . . 61.23 110.892 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -50.75 -56.5 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 75.24 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.01 -58.72 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 72.41 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 911' ' ' SER . 76.0 m -99.71 -102.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 71.24 108.238 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.9 t 157.71 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 72.02 110.013 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.27 134.76 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 74.4 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.524 ' CD2' ' CG2' ' A' ' 904' ' ' THR . 1.1 tm? -65.62 107.82 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 74.32 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 914' ' ' ALA . . . . . 0.438 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.24 -35.61 18.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.22 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.97 163.87 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 74.33 108.304 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 75.14 110.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.33 -47.89 66.62 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.442 1.089 . . . . 54.43 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -60.51 -22.68 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 75.15 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.63 31.1 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 44.44 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 920' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 928' ' ' HIS . 3.1 mm -133.5 155.75 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.42 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -118.06 164.08 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 74.45 109.582 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 922' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 4.0 t -119.92 149.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.13 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 923' ' ' ILE . . . . . 0.517 HD12 ' CZ ' ' A' 1015 ' ' TYR . 5.6 mm -126.76 113.66 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 75.24 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 52.22 23.78 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.34 110.292 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 47.73 27.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 72.21 109.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 926' ' ' MET . . . . . 0.413 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 19.2 ptm -121.64 -37.65 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 75.04 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 927' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' A' ' 926' ' ' MET . 19.2 m80 -118.02 159.82 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.35 109.605 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 928' ' ' HIS . . . . . 0.655 ' CE1' ' CE2' ' A' 1010 ' ' PHE . 0.5 OUTLIER -123.28 106.9 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.0 109.602 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.73 138.96 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 72.42 109.273 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 930' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 60.0 t30 -105.12 95.96 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 72.01 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.89 47.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 63.11 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 932' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 930' ' ' ASN . 0.6 OUTLIER -106.39 125.13 33.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 63.05 110.391 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.28 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 72.5 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -56.41 -27.29 56.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.33 110.314 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 935' ' ' PHE . . . . . 0.472 ' CZ ' HD12 ' A' ' 982' ' ' LEU . 33.2 t80 -65.01 -24.67 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.24 111.01 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.57 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.6 ptpt -63.8 -15.74 59.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 71.35 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -105.12 2.4 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.53 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.425 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.6 mt -111.17 -20.33 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.23 109.279 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -123.32 150.21 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 64.03 110.977 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.04 137.1 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 72.03 109.338 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 941' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.27 134.62 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 75.3 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 122.41 47.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 71.33 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -49.72 104.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 71.21 110.262 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 947' ' ' LEU . 3.7 t30 -153.4 130.34 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 65.11 109.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.408 ' CB ' ' NZ ' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -96.65 -7.91 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.2 109.26 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.11 -13.66 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 75.13 109.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 947' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 944' ' ' ASN . 1.8 mm? -103.39 -77.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 73.42 109.251 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 948' ' ' GLN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -56.7 161.18 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 74.22 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 949' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 18.2 mttp -147.11 -176.09 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.13 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -96.73 67.04 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 72.41 109.37 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 6.7 p -110.45 167.57 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 63.45 108.259 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -122.84 0.21 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 73.22 109.283 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 954' ' ' TYR . 1.1 m-20 -89.87 -23.79 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 73.24 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 954' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 953' ' ' ASP . 5.0 m-85 -175.33 100.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 75.24 111.045 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 955' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 973' ' ' VAL . 15.5 tm0? -77.28 139.25 39.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 75.31 110.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 956' ' ' ILE . . . . . 0.505 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -118.33 155.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 65.41 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -99.71 -26.58 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 72.31 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.61 -137.77 5.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 73.44 111.046 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -125.51 129.82 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 73.1 110.323 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' ILE . . . . . 0.561 HG21 ' CE1' ' A' ' 939' ' ' TYR . 5.8 pt -86.48 136.74 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 71.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 967' ' ' ALA . 22.6 pt -137.16 145.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 71.51 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.3 p -62.04 -174.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.05 108.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 2.3 mmmm -59.11 -51.63 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 72.34 109.324 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.77 -40.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.12 108.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 119.23 31.88 1.34 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.553 1.158 . . . . 75.21 110.973 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -90.2 121.74 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 54.3 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 986' ' ' ASN . . . -50.63 98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 63.24 109.324 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 3.9 m0 -73.73 -36.89 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 71.1 108.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . 0.466 ' HA2' ' CE ' ' A' ' 983' ' ' LYS . . . 174.28 -126.94 1.25 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 71.03 110.991 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.68 152.88 39.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 74.31 110.42 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 956' ' ' ILE . 18.3 tpp -97.39 92.54 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.25 111.022 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.2 mtp -81.82 149.19 28.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.11 111.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 955' ' ' GLN . 6.4 t -123.2 150.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 71.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' HIS . . . . . 0.462 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 3.5 t-80 -140.1 101.53 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 74.43 109.641 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 975' ' ' LYS . 5.2 mtmp? 60.65 24.66 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 65.23 109.298 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.13 -0.21 56.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 72.34 110.975 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 973' ' ' VAL . 0.8 OUTLIER -79.35 164.13 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 73.33 109.276 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . 0.424 ' N ' HD13 ' A' ' 977' ' ' LEU . 1.0 OUTLIER -112.68 119.78 39.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.44 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . 0.639 ' CD2' ' CZ ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -140.21 96.41 8.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.12 109.276 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.96 8.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 75.33 111.05 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.07 103.79 13.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.44 108.272 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.4 OUTLIER -76.9 164.64 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 74.23 109.313 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' LYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 24.0 mttt -129.65 117.21 20.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 75.32 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' ILE . . . . . 0.581 HG13 ' CE3' ' A' 1003 ' ' TRP . 2.5 mt -58.12 -23.3 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 72.22 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.482 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.1 OUTLIER -69.97 -5.94 29.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.32 110.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.6 m-20 -128.13 2.42 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 74.31 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 16.7 m-85 -123.0 -175.87 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.32 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 159.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 71.13 109.297 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' VAL . . . . . 0.537 HG22 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.89 119.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.25 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -117.84 119.87 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.14 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' PHE . . . . . 0.521 ' CE1' ' HG2' ' A' ' 897' ' ' LYS . 45.1 m-85 -81.69 136.93 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.42 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -85.94 -39.76 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 71.31 109.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 902' ' ' LEU . 0.8 OUTLIER -40.77 -55.57 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.43 109.306 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.44 139.22 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 72.23 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 1.4 m -58.11 93.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 73.1 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 8.8 m -150.11 155.14 39.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.44 110.361 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 108.83 9.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 71.04 109.236 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.02 159.44 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 74.42 109.269 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -134.64 108.08 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.54 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1000 ' ' TYR . . . . . 0.537 ' CD1' HG22 ' A' ' 989' ' ' VAL . 39.8 m-85 -95.79 -176.11 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 72.11 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1001 ' ' LYS . . . . . 0.442 ' CA ' HG21 ' A' ' 984' ' ' ILE . 1.7 pttm -120.23 -49.16 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 71.41 109.245 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1002 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 158.83 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.41 109.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1003 ' ' TRP . . . . . 0.581 ' CE3' HG13 ' A' ' 984' ' ' ILE . 56.3 m95 -70.75 -18.77 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.34 107.968 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1004 ' ' VAL . . . . . . . . . . . . . 2.3 p -70.53 -30.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.21 109.284 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -66.34 -23.92 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 65.4 110.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.3 113.07 13.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 73.12 109.293 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1007 ' ' PRO . . . . . 0.486 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.01 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 74.42 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1008 ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -86.61 131.51 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 75.52 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -72.78 153.96 40.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.33 110.376 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1010 ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 928' ' ' HIS . 9.3 m-85 -128.11 165.99 26.97 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 75.53 111.023 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 74.03 110.975 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -145.27 106.47 4.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.05 109.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1013 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.5 122.84 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.24 109.345 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.34 163.97 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.41 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1015 ' ' TYR . . . . . 0.639 ' CZ ' ' CD2' ' A' ' 979' ' ' LEU . 20.4 m-30 -84.68 -39.99 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 75.11 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.7 t -39.45 -30.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 73.41 109.998 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1017 ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' 1015 ' ' TYR . 9.5 mm-40 -45.89 -50.36 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 64.34 110.315 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 82.0 m -103.56 120.95 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 63.42 108.243 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 5.6 p -123.59 62.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 75.25 108.294 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' 1020 ' ' LEU . 0.7 OUTLIER -101.2 -48.15 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 62.33 109.31 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -75.17 -0.36 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.31 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.56 46.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 63.15 110.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.0 16.49 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 74.53 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.0 -179.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 70.43 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.42 109.32 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 28.1 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.269 -0.641 . . . . 74.4 109.269 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -106.65 126.91 29.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.02 109.286 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.56 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.99 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 62.53 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.8 t -83.9 -25.83 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.41 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 -23.6 22.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 72.33 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.563 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -99.66 156.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.24 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.845 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.91 160.0 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 62.51 110.391 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.85 139.94 34.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 72.13 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.1 mt -134.18 175.89 9.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.24 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.491 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.7 t -91.33 121.7 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.948 -1.024 . . . . 63.02 110.949 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -52.61 -59.87 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 74.14 109.297 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -45.86 -58.41 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.44 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.14 -101.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 62.22 108.27 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.56 42.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 75.15 109.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.73 134.37 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 53.22 109.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.845 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.98 106.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 42.55 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.15 -35.52 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 70.32 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.83 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.12 168.96 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 64.42 108.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.423 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.1 m -108.7 158.45 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 54.1 110.015 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.55 88.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 64.13 110.958 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.3 pt-20 -65.29 -24.49 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 72.15 110.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -93.06 30.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.52 109.29 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.37 152.34 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 72.34 109.355 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -118.95 156.65 29.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 71.42 109.613 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 72.23 109.269 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.338 -0.616 . . . . 73.44 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 4.6 t-20 -97.49 96.74 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 63.52 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 57.1 mmm -83.27 46.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 52.03 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.83 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.4 OUTLIER -106.29 121.27 45.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 74.13 110.422 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 73.13 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -59.97 -29.09 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 63.41 110.29 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 70.6 t80 -66.4 -21.55 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.42 110.965 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.584 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.94 -15.23 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.31 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.17 6.06 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 75.34 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 935' ' ' PHE . 7.5 mt -112.27 -13.36 13.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.42 109.269 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.671 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.64 150.39 48.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.35 111.002 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.702 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -126.65 137.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 51.12 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.671 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.69 134.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 75.24 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.847 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -108.42 142.08 39.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 61.32 110.309 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -66.18 104.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 71.51 110.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.975 HD22 ' HB3' ' A' ' 946' ' ' ALA . 10.4 t-20 -155.26 131.24 10.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.12 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -96.59 -8.69 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.44 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.975 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.37 -13.9 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 52.41 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.7 mm? -104.13 -76.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.42 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.3 pp0? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 75.22 110.347 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 973' ' ' VAL . 35.8 tp60 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.295 -0.261 . . . . 72.03 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 971' ' ' MET . 1.3 mm -111.95 156.63 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 72.35 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -95.69 -27.82 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.42 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.43 -137.88 5.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 71.12 110.995 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.04 122.19 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 72.11 110.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.539 HG22 HG23 ' A' ' 941' ' ' VAL . 5.6 pt -78.44 136.39 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 70.44 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.847 HD11 ' HD3' ' A' ' 942' ' ' ARG . 30.7 pt -138.12 144.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.24 109.332 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -62.88 -174.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 72.31 108.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.702 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.31 -51.53 69.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 61.35 109.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.3 m -56.11 -40.32 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.41 108.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 120.12 35.69 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 64.45 111.033 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 32.3 tp60 -94.28 116.82 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 53.4 110.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.44 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 41.2 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -71.76 -28.72 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.52 107.99 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.557 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.59 -117.45 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 74.15 110.995 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -155.97 156.06 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 63.54 110.417 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 956' ' ' ILE . 17.3 tpp -101.83 97.51 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 72.42 111.012 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 23.6 mtp -82.09 145.4 30.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 65.42 110.99 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 2.7 t -126.62 144.96 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.23 109.281 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.1 t-80 -133.86 98.61 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 73.22 109.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 1.8 mttp 60.75 20.16 10.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.02 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.58 8.52 28.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 73.21 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.4 tp -79.41 164.85 23.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 72.51 109.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -122.54 106.83 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 54.13 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -133.73 96.64 16.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.31 109.266 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.476 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -75.01 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 60.45 111.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.29 105.61 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 71.44 108.34 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.98 166.01 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 72.3 109.281 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.53 122.2 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 73.05 109.279 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -58.9 -19.31 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.33 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.85 -6.52 42.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 73.23 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 20.1 m120 -124.21 -1.12 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 72.34 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.8 m-85 -121.63 -176.54 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 72.34 111.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 988' ' ' VAL . . . . . 0.502 HG11 ' NZ ' ' A' ' 997' ' ' LYS . 11.2 t -138.54 160.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 63.14 109.257 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.532 HG11 HD11 ' A' 1006 ' ' LEU . 2.8 t -123.71 119.8 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.4 109.275 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -113.9 122.41 67.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 51.22 109.26 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.563 ' CD1' HG22 ' A' ' 903' ' ' ILE . 59.2 m-85 -84.75 135.88 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 72.11 109.304 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.502 ' NZ ' HG11 ' A' ' 988' ' ' VAL . 9.0 ttmm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.32 -0.622 . . . . 64.51 109.32 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 131.84 53.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 65.35 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.98 111.37 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.54 110.289 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 94.9 m-85 -102.88 -170.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.51 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 48.9 pttt -128.01 -46.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.13 109.354 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.671 ' HB3' HG12 ' A' 1004 ' ' VAL . 35.7 mttt -120.7 156.03 32.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 74.41 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.704 ' HA ' HD12 ' A' ' 984' ' ' ILE . 26.3 m95 -67.6 -24.79 65.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.22 108.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.671 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -62.78 -29.8 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.34 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.98 -21.39 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.31 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CZ ' ' A' 1010 ' ' PHE . 6.5 tp -68.24 113.16 13.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.22 109.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.02 -1.51 11.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 61.31 110.977 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.2 132.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.24 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.9 m -76.37 137.68 39.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 75.02 110.39 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' A' 1006 ' ' LEU . 4.1 m-85 -112.23 165.52 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 74.24 111.031 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 73.32 110.965 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.279 -0.637 . . . . 70.51 109.279 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -126.56 122.7 23.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 73.1 109.273 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.543 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 34.34 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 6.9 t -84.57 -23.91 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.12 109.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.87 -26.42 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 73.41 109.316 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.604 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.6 OUTLIER -96.26 150.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 71.3 109.329 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.839 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.65 160.85 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.34 110.389 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.571 ' O ' HD23 ' A' ' 906' ' ' LEU . 8.6 m-30 -100.61 141.89 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 43.35 110.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.1 mt -135.92 175.27 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.34 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.507 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.7 t -90.56 121.53 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.012 -0.995 . . . . 72.11 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -51.96 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.1 109.31 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.23 -57.9 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 65.23 109.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -99.9 -101.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 65.42 108.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.5 t 155.83 42.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 53.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.05 132.68 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 51.31 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.68 107.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 64.32 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.413 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.17 -35.11 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 55.44 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.975 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.41 170.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 64.34 108.332 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 10.8 t -100.62 163.3 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 72.21 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 917' ' ' GLY . . . . . 0.531 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -69.64 -29.18 71.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 65.45 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 14.4 pt-20 -83.77 -19.59 34.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 73.2 110.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.32 22.6 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.01 109.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -120.25 156.85 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 63.41 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -117.19 157.86 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 74.13 109.616 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 75.24 109.28 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.296 -0.631 . . . . 64.11 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -96.75 95.94 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 44.23 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.1 mmm -84.19 46.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.43 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.975 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -104.63 122.47 43.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 75.1 110.372 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 73.31 111.013 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.565 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -59.47 -28.55 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 73.43 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 83.9 t80 -69.0 -18.75 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 65.54 110.988 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.22 -17.61 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 65.33 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.93 4.48 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 61.34 110.321 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.554 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.1 mt -108.58 -11.85 15.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 63.11 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.95 149.95 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.03 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.85 137.54 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.54 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.32 136.99 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 73.52 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -113.69 138.93 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 70.31 110.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.3 104.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 75.01 110.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.939 HD22 ' HB3' ' A' ' 946' ' ' ALA . 8.5 t-20 -157.46 117.33 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 52.42 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -86.7 -9.16 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.12 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.939 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -61.47 -14.87 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.32 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -105.91 -59.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 72.23 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.502 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 73.35 110.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.448 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.3 tp60 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.295 -0.261 . . . . 74.04 110.295 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.06 158.33 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 60.1 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -101.76 -25.46 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.5 109.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.29 -137.09 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 41.02 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.63 131.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 75.41 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.7 pt -86.41 131.96 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 74.51 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.708 HG22 ' HA ' ' A' ' 967' ' ' ALA . 24.6 pt -133.98 142.85 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.0 OUTLIER -61.9 -174.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 34.04 108.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.792 ' HZ3' ' HA ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.93 -51.58 69.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 72.11 109.327 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.76 -39.24 70.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 75.32 108.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.17 37.33 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 61.4 111.008 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.1 tp60 -96.72 118.21 32.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 73.14 110.3 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.708 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.03 99.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 51.44 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.554 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 6.3 m0 -72.25 -31.1 65.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 75.3 108.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.99 -123.45 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 63.42 111.015 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.3 149.58 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 74.44 110.464 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 956' ' ' ILE . 24.8 tpp -97.25 93.22 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 73.22 110.993 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 972' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 25.6 mtp -81.92 147.89 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 54.45 110.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.2 t -123.77 145.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.42 109.278 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.571 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.9 t-80 -134.18 100.41 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.12 109.539 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.519 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 18.8 mttm 61.02 20.94 11.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.12 109.287 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.7 37.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 64.23 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 8.4 tp -79.48 166.38 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.32 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -122.57 100.89 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 70.15 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.1 OUTLIER -124.49 96.5 41.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.32 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 71.42 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 105.13 17.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 64.44 108.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -86.03 167.45 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 70.24 109.285 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -128.38 122.54 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 75.24 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -60.22 -17.91 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.54 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.47 -11.68 60.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.5 110.265 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 27.2 m120 -118.48 -6.28 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.01 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.4 m-85 -114.83 -177.87 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 74.42 111.02 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.8 t -140.46 156.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 65.54 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -121.12 119.47 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 72.5 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -115.71 124.26 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.01 109.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.604 ' CD1' HG22 ' A' ' 903' ' ' ILE . 60.9 m-85 -84.83 136.5 33.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 70.14 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 72.11 109.316 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.433 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.3 ttmt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.309 -0.626 . . . . 71.44 109.309 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.52 138.66 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.2 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -119.31 112.78 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 73.2 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 97.1 m-85 -105.46 -170.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 74.11 111.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.576 ' CA ' HG22 ' A' ' 984' ' ' ILE . 21.2 pttt -129.34 -45.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.45 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.637 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.9 mmtp -117.14 150.31 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 75.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.77 ' HA ' HD12 ' A' ' 984' ' ' ILE . 43.3 m95 -64.88 -36.96 86.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.33 108.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.637 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.7 OUTLIER -49.58 -28.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 75.01 109.323 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.23 110.349 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.901 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -50.24 110.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 72.5 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.1 9.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 73.4 111.025 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -92.7 134.3 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.41 109.297 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -70.16 150.79 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 63.41 110.377 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.901 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.1 m-85 -126.3 165.61 26.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 61.2 111.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 65.32 111.014 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 6.5 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 73.45 109.326 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.85 127.31 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 61.43 109.317 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.03 0.27 9.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.517 1.798 . . . . 35.23 111.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 11.7 t -84.09 -27.28 28.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.34 109.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -23.34 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 72.23 109.335 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.81 154.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 63.13 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.835 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.36 159.07 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.53 110.422 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.8 m-30 -100.21 138.32 37.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.43 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 913' ' ' LEU . 1.0 OUTLIER -132.47 177.34 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 74.44 109.352 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.9 t -90.71 125.26 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.993 -1.003 . . . . 74.45 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -55.33 -59.4 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.41 109.306 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -46.35 -57.96 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.3 109.331 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.1 m -98.87 -101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 74.12 108.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.6 OUTLIER 154.08 42.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 72.44 110.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 136.99 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 73.53 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.88 106.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.14 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.408 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.26 -34.93 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 70.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.411 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.7 p -176.31 161.52 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 42.14 108.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.695 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.58 158.44 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 70.14 109.984 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.46 -46.85 57.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 55.32 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -60.89 -28.97 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 53.41 110.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -93.98 31.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 54.22 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.718 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.56 145.0 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 71.31 109.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -109.12 175.45 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.21 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 71.04 109.325 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.518 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.5 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.269 -0.641 . . . . 60.11 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.718 ' OD1' HD13 ' A' ' 920' ' ' ILE . 62.7 t30 -102.57 96.02 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 71.12 109.315 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.8 mtt -82.5 47.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 75.13 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -107.77 127.01 28.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 63.42 110.412 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 74.54 111.027 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.64 ' HG2' HG22 ' A' ' 932' ' ' THR . 11.4 pt-20 -55.37 -32.79 62.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.34 110.311 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 53.7 t80 -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.51 110.965 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.7 ptpt -63.83 -16.12 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 65.01 109.28 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.1 3.24 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 54.22 110.258 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.532 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -112.27 -18.2 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 72.23 109.284 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.665 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.56 149.64 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 64.3 110.966 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.09 137.13 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.01 109.339 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.665 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -99.68 131.36 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 54.45 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.614 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -106.23 121.22 43.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.33 110.316 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -46.56 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.43 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.974 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.3 t-20 -158.14 129.56 6.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.43 109.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -96.5 -7.27 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.44 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.974 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.23 -13.15 47.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 43.01 109.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.87 -58.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.12 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.53 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 72.23 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.6 tm0? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 72.52 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.53 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -103.96 159.45 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 72.44 109.259 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 957' ' ' ASN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 2.2 m-20 -101.99 -25.88 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 71.15 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.72 -137.79 5.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 64.15 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -125.61 129.23 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 70.31 110.246 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.423 HG22 HG23 ' A' ' 941' ' ' VAL . 20.5 pt -89.08 130.41 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 72.1 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.816 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.6 pt -130.82 149.35 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 60.24 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.65 -174.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.21 108.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.6 mmmm -61.32 -51.74 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 54.1 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.0 m -55.34 -36.01 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 42.43 108.292 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.13 35.57 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 74.22 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.4 tp60 -92.94 123.51 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 55.52 110.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.816 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.43 95.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 70.22 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.7 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -69.8 -42.56 73.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.54 107.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.466 ' CA ' ' HD3' ' A' ' 983' ' ' LYS . . . 174.34 -123.68 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 73.43 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 2.9 p -146.06 170.07 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 74.03 110.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.48 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -116.08 96.75 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.22 110.998 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 972' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 7.7 mtp -82.04 154.42 25.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 64.41 110.988 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -126.35 148.6 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 52.15 109.278 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -139.63 102.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 74.02 109.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 7.6 mttp 61.54 24.01 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.31 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.21 2.35 55.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 64.04 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.86 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.41 166.93 21.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 75.45 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.714 ' N ' HD23 ' A' ' 977' ' ' LEU . 99.0 m-20 -116.4 118.0 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.14 109.328 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 979' ' ' LEU . 0.2 OUTLIER -135.54 96.46 13.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 72.11 109.338 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.01 116.63 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 73.52 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 981' ' ' CYS . . . . . 0.548 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.6 m -95.43 114.59 26.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 70.51 108.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -100.6 146.07 27.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 61.41 109.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -108.75 125.26 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.31 109.28 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.563 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.5 mt -58.76 -25.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.43 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.3 ptp180 -67.05 -7.54 23.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 71.51 110.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 13.9 m120 -120.16 -3.37 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.22 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.7 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.6 m-85 -122.84 -175.74 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.25 111.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.3 t -139.89 160.09 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 71.41 109.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.66 123.23 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 71.43 109.273 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -117.43 119.34 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.12 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 903' ' ' ILE . 40.1 m-85 -80.38 135.2 36.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.15 111.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 44.33 109.307 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.519 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.0 ttpp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.337 -0.616 . . . . 71.35 109.337 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.0 129.0 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 74.23 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -106.92 109.64 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.42 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.461 ' CB ' HG21 ' A' ' 984' ' ' ILE . 94.7 m-85 -101.41 -172.84 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 71.03 111.041 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.7 pttt -123.86 -49.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.32 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.729 ' HB3' HG12 ' A' 1004 ' ' VAL . 31.4 mttt -118.7 160.69 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.32 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.563 ' CE3' HG13 ' A' ' 984' ' ' ILE . 37.2 m95 -72.33 -22.41 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 72.14 108.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.729 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -63.75 -21.03 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.41 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -77.99 -28.47 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.44 110.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -61.2 111.32 4.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.43 109.291 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.05 -0.19 9.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 72.22 110.968 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.38 137.02 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 75.44 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 3.4 t -72.0 158.56 35.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 53.51 110.379 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.562 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.1 m-85 -139.91 165.7 29.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.51 110.983 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 75.44 110.989 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 75.21 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -112.1 127.61 26.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 54.4 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.512 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -75.01 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 63.41 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.9 -26.57 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 43.44 109.987 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.4 -22.98 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.14 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -102.22 151.96 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 71.01 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.832 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.31 161.63 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.43 110.406 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.83 141.4 33.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 62.02 111.027 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -135.6 175.85 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 62.22 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.8 t -91.0 122.09 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.966 -1.015 . . . . 74.45 110.931 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -52.04 -60.53 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 73.13 109.284 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -45.83 -59.95 2.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.23 109.277 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.8 m -97.41 -100.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.43 108.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.7 m 153.93 42.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.15 109.99 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.32 132.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 25.53 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -63.23 108.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 71.35 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.422 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.46 -34.68 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 52.11 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.2 p -178.65 162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 70.51 108.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.31 157.09 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.23 109.985 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -51.36 -46.52 52.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 64.42 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.405 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.7 pp20? -63.26 -27.72 69.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 55.53 110.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.85 31.28 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 63.02 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.524 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.45 156.59 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 53.11 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -122.48 162.48 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.54 109.623 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 73.2 109.316 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.343 -0.614 . . . . 75.21 109.343 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.04 95.84 6.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 71.53 109.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.9 mmt -84.51 46.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 72.11 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.416 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -104.71 123.85 38.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 63.3 110.397 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 71.55 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 932' ' ' THR . 12.0 pt-20 -59.16 -34.28 71.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 64.11 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 938' ' ' LEU . 70.0 t80 -59.97 -20.3 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 63.25 111.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -65.02 -16.44 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.11 6.03 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.14 110.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 935' ' ' PHE . 13.5 mt -110.75 -17.16 13.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 74.52 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -125.37 151.51 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.33 110.982 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.5 mt -124.96 137.96 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 70.41 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.668 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.53 137.27 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.11 109.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.745 ' HD3' HD11 ' A' ' 961' ' ' ILE . 1.1 mpt_? -113.98 120.91 42.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 72.14 110.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -47.91 104.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 65.14 110.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.959 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.7 t-20 -153.9 129.64 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.2 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -8.17 31.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.23 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.959 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.04 -13.4 35.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 52.35 109.312 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.32 -58.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 75.03 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.535 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.44 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 973' ' ' VAL . 6.7 tm0? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.332 -0.247 . . . . 32.31 110.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -109.83 157.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 73.1 109.33 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -106.01 -23.11 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 73.12 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 165.71 -153.9 24.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.167 . . . . 74.53 110.965 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -119.72 122.11 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.31 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.668 HG22 HG23 ' A' ' 941' ' ' VAL . 14.7 pt -79.71 134.28 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 64.35 109.26 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.841 HG22 ' HA ' ' A' ' 967' ' ' ALA . 27.7 pt -136.48 148.32 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 73.44 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.25 -175.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.43 108.26 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.41 -51.84 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.32 109.255 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 6.9 m -55.02 -38.41 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.21 108.305 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.42 33.44 1.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.554 1.159 . . . . 72.42 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.9 tp60 -92.65 123.49 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 74.44 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.841 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.78 101.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.14 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 4.9 m0 -76.78 -36.98 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 75.33 108.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 970' ' ' THR . . . 174.29 -127.74 1.36 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 72.03 110.991 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.609 HG23 ' HZ1' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -154.22 138.68 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 72.03 110.412 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.552 ' O ' HG23 ' A' ' 956' ' ' ILE . 1.3 ttm -85.79 105.95 16.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.22 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 972' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 9.7 mtm -81.85 169.37 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 53.44 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 955' ' ' GLN . 21.2 t -140.16 136.2 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.54 109.338 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.477 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -129.91 100.19 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 60.02 109.612 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.9 mttp 60.66 18.75 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 42.25 109.269 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.35 27.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 74.42 111.011 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 14.6 tp -85.47 166.68 16.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 71.43 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -118.83 113.39 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.14 109.275 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -139.24 102.26 7.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 75.41 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 122.73 7.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 55.55 110.972 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.81 100.69 10.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 74.21 108.274 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -81.51 165.38 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.34 109.289 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.609 ' HZ1' HG23 ' A' ' 970' ' ' THR . 40.2 mttt -128.69 122.37 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 71.04 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -59.11 -22.09 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.04 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 2.9 ptt180 -70.43 -5.93 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 54.14 110.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 15.1 m120 -124.56 -0.01 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.34 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.2 m-85 -122.9 -176.19 3.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 71.21 110.971 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 10.6 t -140.92 157.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.52 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.41 122.51 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 75.43 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.1 t -114.66 120.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.44 109.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 903' ' ' ILE . 30.7 m-85 -82.61 134.64 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 71.04 111.042 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 52.01 109.299 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 990' ' ' VAL . 3.0 ttpp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.248 -0.649 . . . . 53.44 109.248 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 998' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' 1000 ' ' TYR . 4.3 mptt -104.62 129.04 52.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.24 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -107.87 108.25 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 71.44 110.296 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.469 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.6 m-85 -101.26 -171.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 75.14 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.555 ' CA ' HG22 ' A' ' 984' ' ' ILE . 47.3 pttt -129.7 -45.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 72.52 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.593 ' HB3' HG12 ' A' 1004 ' ' VAL . 17.5 mmtp -117.41 149.65 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 74.43 109.298 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 42.7 m95 -63.89 -38.98 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 75.31 108.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.593 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.6 OUTLIER -48.03 -25.86 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.25 109.278 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.81 -40.08 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 62.13 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.794 HD23 ' CZ ' ' A' 1010 ' ' PHE . 7.2 tp -50.49 107.08 0.73 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.23 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.453 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.01 1.04 8.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 73.34 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.36 135.62 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.44 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.0 t -69.82 144.76 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.11 110.411 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.794 ' CZ ' HD23 ' A' 1006 ' ' LEU . 5.4 m-85 -124.82 165.83 23.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 62.12 111.03 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 71.25 110.986 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 28.9 t30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.272 -0.64 . . . . 75.21 109.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -119.58 126.0 27.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 64.1 109.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 42.41 110.968 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.69 -26.02 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.2 109.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 902' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.4 OUTLIER -86.66 -24.98 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.22 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -100.11 152.54 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.15 109.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.36 159.79 42.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 74.12 110.447 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.68 139.06 36.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 61.03 111.028 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -133.83 177.26 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 54.41 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.449 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.4 t -91.93 122.47 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.971 -1.013 . . . . 73.32 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.15 109.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.82 -57.83 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 33.23 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.3 -100.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.55 108.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.9 OUTLIER 152.98 42.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 52.31 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.49 134.58 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 52.04 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.23 106.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 72.24 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.409 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.29 -35.08 18.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 55.44 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 1.002 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.1 m -178.74 160.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 71.12 108.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.665 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.3 t -105.67 162.19 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.12 110.007 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -57.73 -45.97 92.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 74.45 111.047 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.41 -17.41 62.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 73.21 110.356 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -105.34 28.77 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.41 109.299 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.07 156.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 63.54 109.311 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -119.75 172.08 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.4 109.605 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.21 109.315 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.266 -0.642 . . . . 65.24 109.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -94.44 95.8 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 75.23 109.282 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 14.2 mtp -83.92 47.16 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 61.02 111.015 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 932' ' ' THR . . . . . 1.002 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 124.12 36.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 64.44 110.433 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.6 Cg_endo -74.94 -44.84 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 71.42 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.54 ' HG3' HG22 ' A' ' 932' ' ' THR . 0.0 OUTLIER -56.14 -33.85 65.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 62.44 110.306 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 938' ' ' LEU . 87.2 t80 -62.43 -20.64 64.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 71.44 110.938 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.1 ptpt -63.95 -17.78 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 73.34 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.04 5.09 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 65.42 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.5 mt -111.15 -10.25 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 62.02 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.72 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -130.16 151.02 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.21 111.041 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.781 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.33 140.01 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 73.11 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.72 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.14 124.0 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 75.22 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.704 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -101.34 123.08 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 71.32 110.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -46.55 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 73.33 110.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.937 HD22 ' HB3' ' A' ' 946' ' ' ALA . 9.9 t-20 -156.9 116.43 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 72.33 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 -8.53 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.33 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.937 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.82 -13.95 39.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.21 109.321 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.5 mm? -104.41 -57.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 75.14 109.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.502 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 64.21 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 973' ' ' VAL . 29.5 tp60 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.333 -0.247 . . . . 65.21 110.333 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.93 158.05 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 73.24 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -102.56 -25.51 13.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.33 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.17 -141.4 7.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 33.12 111.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.36 135.36 55.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 54.51 110.297 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.463 HG22 ' CE1' ' A' ' 939' ' ' TYR . 5.3 pt -93.75 128.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 40.25 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.707 HG22 ' HA ' ' A' ' 967' ' ' ALA . 19.4 pt -130.95 140.08 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 73.24 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -57.67 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 63.41 108.268 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.781 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 7.6 mmmt -62.28 -49.68 74.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 61.42 109.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -58.12 -32.26 67.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.3 108.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.44 42.4 1.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 74.1 110.978 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.3 tp60 -101.71 118.21 36.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 71.44 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.707 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.6 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.21 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.695 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.9 m0 -68.8 -34.8 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.4 107.948 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 170.39 -122.77 1.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 73.54 111.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.72 151.51 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 75.25 110.362 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 956' ' ' ILE . 19.1 tpp -95.38 92.53 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 61.35 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.82 151.94 27.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.25 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.8 t -125.57 150.15 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 64.1 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.634 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.3 t-80 -142.34 103.45 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 70.43 109.567 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 15.4 mttp 62.51 23.2 13.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 52.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.58 0.66 57.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 25.11 111.027 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.832 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.24 162.35 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 53.44 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.832 ' H ' HD13 ' A' ' 977' ' ' LEU . 2.6 p30 -110.63 116.02 30.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 61.11 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -135.84 96.17 13.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.02 109.339 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.436 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.95 116.47 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 62.4 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.19 104.53 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 52.25 108.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -86.42 166.87 15.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 53.52 109.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -128.67 122.39 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 45.25 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.8 mt -58.68 -18.55 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.13 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -6.34 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.15 110.372 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 22.8 m120 -124.57 -0.85 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.42 109.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.5 m-85 -121.86 -176.28 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 63.31 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 19.7 t -137.38 160.97 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 74.31 109.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.04 116.93 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 75.22 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.7 t -113.88 124.26 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.12 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -82.41 137.46 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 70.04 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 992' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 902' ' ' LEU . 26.8 ttpp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.31 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.2 ttpt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 61.14 109.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.04 129.78 54.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 63.42 109.312 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -107.07 110.9 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 64.32 110.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.0 m-85 -102.79 -171.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.23 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.1 pttm -126.1 -48.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.42 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.726 ' HB3' HG12 ' A' 1004 ' ' VAL . 19.3 mttm -120.33 158.6 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.41 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.649 ' HA ' HD12 ' A' ' 984' ' ' ILE . 21.7 m95 -70.17 -24.45 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.35 107.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -61.19 -21.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 65.53 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.99 -26.57 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 74.1 110.331 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.44 112.36 5.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.25 109.377 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.65 17.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 74.45 110.965 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.28 133.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.22 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.3 t -69.99 151.83 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.44 110.421 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.843 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.8 m-85 -129.2 163.09 48.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 71.3 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 73.34 111.019 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 40.2 t30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 45.3 109.274 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -123.15 131.15 24.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.41 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -74.97 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 61.12 111.021 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -85.72 -24.08 27.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 74.23 110.035 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -23.09 20.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 70.13 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.618 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.21 159.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 75.04 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.55 162.29 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 71.43 110.364 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 920' ' ' ILE . 8.3 m-30 -103.33 137.54 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 64.33 111.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -131.04 177.24 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 65.13 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 50.4 t -92.07 120.35 32.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.023 -0.99 . . . . 53.2 110.914 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -50.7 -59.62 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 70.14 109.28 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -46.3 -59.66 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 74.22 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 911' ' ' SER . 79.0 m -97.17 -102.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 60.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.0 OUTLIER 155.93 40.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.35 109.969 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.81 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 74.31 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.39 106.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 71.34 109.288 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.39 -35.3 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.44 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.6 p -177.69 162.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 74.51 108.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.689 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.43 155.29 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 65.15 109.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.12 -52.22 23.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 55.21 111.029 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.429 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.5 pp20? -55.26 -30.78 60.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 74.24 110.289 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.91 29.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.3 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.779 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.47 149.61 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 70.04 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -114.99 170.0 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 63.21 109.574 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.13 109.312 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.283 -0.636 . . . . 73.25 109.283 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.779 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.7 t30 -97.39 96.92 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 52.04 109.262 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.2 mtt -82.52 47.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 73.13 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.463 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.5 OUTLIER -105.36 123.98 37.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.12 110.394 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 40.32 111.021 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.463 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.0 pt-20 -56.47 -31.58 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 52.24 110.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 85.5 t80 -63.29 -21.72 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 65.45 110.958 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.83 -15.99 62.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.19 6.09 32.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 63.03 110.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.592 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.9 mt -114.24 -10.28 12.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 64.2 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.1 OUTLIER -130.44 151.13 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 72.24 111.023 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.783 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.82 139.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.34 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.31 131.08 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 61.21 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.719 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.1 OUTLIER -105.75 122.3 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 72.54 110.346 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -49.42 104.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 72.43 110.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.976 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.1 t-20 -157.46 130.53 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.32 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -96.67 -8.24 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.44 109.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.976 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.98 -13.51 35.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 61.13 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.7 mm? -102.58 -75.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.02 109.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.536 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.4 pp0? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 63.05 110.291 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 973' ' ' VAL . 31.4 tp60 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.293 -0.262 . . . . 72.02 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.536 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.0 157.86 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 74.52 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 957' ' ' ASN . . . . . 0.427 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 2.1 m-20 -96.53 -25.72 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.55 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.56 -137.54 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 75.43 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -121.61 122.43 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 71.14 110.254 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.441 HG22 ' CE1' ' A' ' 939' ' ' TYR . 4.8 pt -80.69 134.21 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 40.34 109.294 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.719 HD11 ' HD3' ' A' ' 942' ' ' ARG . 21.1 pt -134.3 139.92 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.33 109.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -58.63 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.1 108.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.783 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 8.5 mmmt -63.29 -49.38 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 73.2 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.1 m -57.93 -31.76 67.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 70.13 108.258 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.05 41.99 1.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 73.14 111.005 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.425 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.7 tp60 -102.85 117.96 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 71.31 110.283 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.686 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.05 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.52 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.657 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.0 m0 -68.83 -32.29 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 70.44 108.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' THR . . . 168.09 -114.86 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 63.31 111.046 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -157.06 156.95 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 71.42 110.399 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.3 tpp -100.26 95.33 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.31 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 972' ' ' MET . . . . . 0.447 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 34.8 mtp -81.99 147.66 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 62.33 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -125.76 143.51 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 72.22 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.544 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.0 t-80 -132.56 104.74 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 63.31 109.585 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 0.0 OUTLIER 61.7 15.42 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 71.13 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.86 4.42 33.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 25.02 111.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 10.8 tp -79.32 166.31 22.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 54.03 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.34 112.33 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 70.41 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -135.69 96.38 13.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.12 109.338 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.457 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.98 116.49 4.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 75.55 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.09 106.47 18.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 72.12 108.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 987' ' ' PHE . 0.9 OUTLIER -87.86 169.73 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 54.54 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -131.26 122.9 27.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 73.12 109.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.0 mt -58.79 -18.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.4 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -72.67 -5.73 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 72.2 110.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 21.0 m120 -125.46 -0.19 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 70.5 109.305 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.657 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.3 m-85 -122.37 -176.28 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.34 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.92 162.77 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 75.14 109.316 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.56 123.63 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.22 109.286 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.765 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -113.69 114.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.4 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 903' ' ' ILE . 55.5 m-85 -84.89 118.67 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 71.03 110.921 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 71.42 109.321 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.765 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.3 ttpp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.633 . . . . 71.51 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -108.03 157.59 18.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 73.23 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -123.99 107.92 11.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 64.04 110.314 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.472 ' CB ' HG21 ' A' ' 984' ' ' ILE . 92.6 m-85 -98.79 -171.62 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.2 111.017 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.53 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.3 pttt -127.03 -47.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 75.2 109.244 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.497 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 74.13 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.758 ' HA ' HD12 ' A' ' 984' ' ' ILE . 29.7 m95 -67.53 -26.32 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 70.41 108.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.497 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -61.67 -31.8 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 63.32 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.26 -22.84 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.845 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -62.34 112.43 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 63.4 109.294 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 62.21 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.46 134.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.33 109.255 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -71.17 146.36 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 62.2 110.387 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.845 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.2 m-85 -124.83 165.21 26.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.3 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 50.23 110.993 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' 1007 ' ' PRO . 29.0 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 63.45 109.282 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -102.28 125.92 34.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 75.52 109.309 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.1 Cg_endo -75.05 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 74.25 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.9 -19.82 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 62.35 110.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.62 -23.71 18.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 74.3 109.276 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.621 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.3 OUTLIER -101.26 151.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 64.12 109.314 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.846 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -141.41 159.74 41.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.44 110.443 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.4 m-30 -100.99 139.58 36.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 63.13 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.567 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.87 176.01 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 54.5 109.329 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.484 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 49.9 t -91.08 122.85 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.009 -0.996 . . . . 73.11 110.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -52.83 -61.44 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 71.11 109.267 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -44.62 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.34 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.3 m -100.04 -101.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 54.21 108.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.0 t 154.69 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.01 109.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.03 133.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.22 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.846 HD21 HG22 ' A' ' 904' ' ' THR . 1.0 OUTLIER -61.5 106.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 24.3 109.283 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.85 -36.18 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.14 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.67 166.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 72.55 108.288 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.482 ' HB3' HG23 ' A' ' 904' ' ' THR . 0.1 OUTLIER -97.65 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 53.03 110.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 917' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -65.48 -29.73 75.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 74.44 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.3 pp20? -83.37 -17.26 42.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 73.1 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 19.22 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 54.52 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -118.09 157.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 54.41 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -117.85 157.17 27.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 64.34 109.598 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 71.35 109.309 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 62.51 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -97.0 95.59 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.01 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.19 47.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 53.41 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.792 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.15 124.19 36.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 63.31 110.452 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.492 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.5 Cg_endo -74.95 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 64.5 111.043 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.6 pt-20 -59.18 -28.65 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.23 110.33 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.69 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.8 t80 -68.03 -19.47 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.03 110.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.57 -16.26 64.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 54.13 109.329 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.24 4.34 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.42 110.267 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 935' ' ' PHE . 17.9 mt -107.9 -18.88 13.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 71.42 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -121.16 152.11 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.43 111.038 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.07 136.36 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.31 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.4 134.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.53 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.561 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -109.08 121.45 45.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.51 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.15 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.44 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.972 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.1 t-20 -154.31 130.33 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 64.31 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -96.55 -8.07 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 73.44 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.972 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.21 -13.42 37.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 63.44 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.8 mm? -103.61 -76.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 74.41 109.279 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.3 pp0? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 75.53 110.306 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 973' ' ' VAL . 10.4 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.283 -0.265 . . . . 55.11 110.283 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -115.26 156.93 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 65.13 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.42 -26.82 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.21 109.306 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.01 -137.21 5.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 42.23 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.26 126.69 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 74.24 110.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.403 HG22 HG23 ' A' ' 941' ' ' VAL . 10.6 pt -83.97 137.17 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 65.3 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 967' ' ' ALA . 28.0 pt -138.58 143.7 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.21 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -62.88 -174.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 65.32 108.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.69 -51.12 70.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 75.42 109.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.0 m -55.99 -36.65 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 71.3 108.335 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 115.11 38.3 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 52.22 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 31.7 tp60 -97.84 118.05 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 61.22 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.768 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.69 97.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 64.34 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.2 m0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.33 108.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.75 -120.1 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 73.24 110.991 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -152.36 161.93 41.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 70.24 110.421 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.1 tpp -109.02 98.45 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.43 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.0 mtp -82.1 150.14 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 72.33 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.1 t -126.68 144.13 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 63.55 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.458 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.2 t-80 -133.21 98.16 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.43 109.631 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.458 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 10.8 mtmt 60.86 21.76 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.44 109.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 106.46 6.64 35.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 43.44 111.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.801 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.3 tp -79.59 166.37 21.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 71.02 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -121.83 110.93 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 70.33 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -135.01 96.65 14.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 73.32 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.511 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 54.55 110.996 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.84 105.36 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 53.44 108.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.69 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -87.21 168.95 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 62.13 109.303 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -128.61 122.82 31.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.23 109.277 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -60.44 -17.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.43 109.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.92 -11.62 60.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 63.22 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 26.4 m120 -118.15 -4.59 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.14 109.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.638 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.6 m-85 -116.4 -177.58 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 73.42 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.4 t -138.02 162.02 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.14 109.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.84 122.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.22 109.269 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.3 t -113.85 120.66 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 61.01 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.621 ' CD1' HG22 ' A' ' 903' ' ' ILE . 57.4 m-85 -91.69 118.64 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 75.24 111.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.52 109.28 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.59 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.4 ttmt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.314 -0.624 . . . . 65.21 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.28 171.46 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 72.45 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -140.51 106.0 5.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 73.11 110.244 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.487 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 65.0 m-85 -93.73 -170.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 72.52 111.02 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.519 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.5 pttt -126.66 -48.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.24 109.336 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.704 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttp -119.15 157.26 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.11 109.35 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.707 ' HA ' HD12 ' A' ' 984' ' ' ILE . 34.9 m95 -68.5 -24.65 64.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 75.12 108.004 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.704 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -64.1 -31.53 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.14 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.67 -18.88 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 71.05 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.07 113.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.23 109.283 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.479 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.97 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 73.12 111.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.8 OUTLIER -87.21 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.33 109.305 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -83.13 135.23 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.23 110.394 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.647 ' CE1' HD23 ' A' 1006 ' ' LEU . 5.1 m-85 -106.65 165.03 13.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 71.33 111.024 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 64.3 110.979 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.3 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.329 -0.619 . . . . 75.25 109.329 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -107.61 125.84 31.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.33 109.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.01 0.71 8.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 51.42 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 17.8 t -84.1 -26.32 29.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 73.01 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.14 -24.04 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.43 109.357 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.79 158.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.42 109.317 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.848 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.94 159.56 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 63.34 110.42 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.73 139.86 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 72.1 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.95 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 74.41 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 49.2 t -90.73 122.1 33.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.995 -1.002 . . . . 54.43 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -52.82 -60.57 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 75.32 109.36 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -44.95 -57.77 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.23 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -99.96 -100.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.14 108.318 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.9 p 153.82 42.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 52.53 110.031 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.58 131.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 71.05 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -60.23 106.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.03 109.272 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -85.56 -35.76 20.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 42.33 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.68 168.24 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 53.24 108.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 904' ' ' THR . 5.9 m -106.77 156.67 18.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.25 109.996 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.09 -48.5 62.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 61.42 111.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.8 pp20? -63.19 -25.86 68.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 73.3 110.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.63 32.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 73.33 109.32 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.837 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.3 mm -133.6 147.69 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.12 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.45 156.25 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.35 109.642 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 52.43 109.273 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.344 -0.613 . . . . 53.25 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.837 ' OD1' HD13 ' A' ' 920' ' ' ILE . 63.9 t30 -101.93 95.94 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 62.42 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.9 mtt -83.99 46.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 65.21 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.7 OUTLIER -103.24 124.12 39.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 75.42 110.385 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 74.41 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 7.7 pt-20 -60.96 -23.42 65.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.31 110.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.725 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 66.8 t80 -73.44 -22.53 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.43 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.0 ptpt -65.04 -14.35 60.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 71.04 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.64 2.79 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.45 110.361 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 935' ' ' PHE . 10.0 mt -108.85 -22.63 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 73.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -116.47 151.2 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.45 111.014 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.8 mt -130.14 136.47 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 52.25 109.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.761 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -93.69 133.22 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.13 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.612 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.7 OUTLIER -114.9 122.13 45.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.45 110.275 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -47.14 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 60.31 110.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 1.006 HD22 ' HB3' ' A' ' 946' ' ' ALA . 9.4 t-20 -153.29 121.67 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.33 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -89.94 -8.76 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.11 109.321 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 1.006 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.55 -13.91 36.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 73.33 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.478 ' HG ' ' CG ' ' A' ' 959' ' ' GLU . 2.0 mm? -108.57 -75.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 75.23 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 2.0 pp0? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.41 110.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.0 tp-100 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.257 -0.275 . . . . 52.14 110.257 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -115.29 158.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.25 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -107.3 -24.06 12.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.12 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.19 -137.82 5.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 72.5 111.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 959' ' ' GLU . . . . . 0.478 ' CG ' ' HG ' ' A' ' 947' ' ' LEU . 12.9 tt0 -128.63 132.37 48.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 64.24 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.408 HG22 ' CE1' ' A' ' 939' ' ' TYR . 11.3 pt -87.1 136.25 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.41 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.8 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.0 pt -137.16 145.04 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 73.02 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -64.4 -174.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 63.11 108.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -61.97 -50.96 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 60.42 109.276 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.8 m -56.16 -34.46 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 62.14 108.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.08 1.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 53.4 110.967 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.1 tp60 -99.94 118.85 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 73.52 110.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.8 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.09 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 74.32 109.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.3 m0 -66.43 -36.45 82.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.32 108.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.71 -128.72 1.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 62.45 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.24 151.24 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 54.4 110.415 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 956' ' ' ILE . 14.8 tpp -94.1 93.98 8.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 72.12 111.024 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 27.1 mtp -82.17 153.42 26.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 71.41 110.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.5 t -124.8 149.23 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.54 109.267 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.8 t-80 -140.02 100.97 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 70.44 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp 60.19 24.57 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.2 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.44 56.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 65.32 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.7 OUTLIER -79.38 162.47 25.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 64.1 109.302 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.795 ' N ' HD13 ' A' ' 977' ' ' LEU . 14.6 m-20 -109.49 115.66 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 53.31 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -134.4 96.23 15.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 74.33 109.316 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 72.21 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.66 106.37 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 61.33 108.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.725 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -88.3 166.37 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 62.33 109.279 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -128.03 124.08 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 70.1 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.571 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -59.34 -19.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 75.42 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -6.21 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 74.43 110.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.419 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 22.9 m120 -124.28 -0.83 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 63.03 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.7 m-85 -122.09 -176.45 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 64.14 111.012 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.7 t -139.61 162.37 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 73.51 109.254 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.45 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -121.07 123.38 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.51 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.82 115.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 64.11 109.333 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.561 ' CD1' HG22 ' A' ' 903' ' ' ILE . 38.9 m-85 -85.14 118.72 24.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 72.41 111.052 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 75.11 109.257 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.72 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.5 ttpp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.298 -0.63 . . . . 54.32 109.298 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -109.42 155.53 21.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 74.35 109.327 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -121.91 105.41 10.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.43 110.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.491 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 73.7 m-85 -93.99 -172.49 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 62.33 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.529 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.3 pttt -126.31 -49.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 51.51 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' 1004 ' ' VAL . 11.1 mtpt -115.81 164.17 14.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 71.21 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.5 m95 -75.96 -14.12 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 74.32 108.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -76.02 -34.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.02 109.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.99 -19.24 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.55 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.689 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.07 115.44 40.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 74.03 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.95 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 73.1 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.14 135.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.12 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -81.09 129.19 34.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.1 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.689 ' CE1' HD23 ' A' 1006 ' ' LEU . 21.6 m-85 -100.34 165.65 14.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 61.23 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 70.22 111.024 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 75.25 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.74 126.2 28.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 75.34 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.22 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.0 t -82.99 -23.9 33.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 64.52 109.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.18 -23.65 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 70.04 109.294 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.78 156.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.31 109.255 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.811 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -143.94 169.47 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.44 110.4 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.733 ' O ' HD23 ' A' ' 906' ' ' LEU . 13.2 m-30 -108.41 138.64 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.13 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 905' ' ' PHE . 2.3 mt -133.36 159.15 41.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 63.44 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.43 ' HG ' ' CB ' ' A' ' 962' ' ' CYS . 40.5 t -73.64 130.74 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.952 -1.022 . . . . 73.33 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 908' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 18.7 ttpt -57.97 -62.09 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 71.52 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -43.89 -61.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.02 109.311 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.9 m -98.03 -102.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 63.03 108.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.5 p 157.85 41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.32 110.039 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.0 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 64.13 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.811 HD21 HG22 ' A' ' 904' ' ' THR . 0.4 OUTLIER -60.79 106.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.04 109.34 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 914' ' ' ALA . . . . . . . . . . . . . . . -89.19 -36.09 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 62.33 109.29 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.9 169.65 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 72.24 108.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 904' ' ' THR . 23.4 p -113.72 148.08 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.15 109.984 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -48.78 -45.35 31.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 62.32 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.69 -28.82 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 71.42 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -93.12 30.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 63.45 109.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.539 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.35 153.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 60.04 109.334 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -119.41 172.38 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 63.34 109.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 73.12 109.274 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 52.3 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 5.2 t-20 -103.39 95.77 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 73.22 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 35.0 mmm -84.37 45.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 63.22 110.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.508 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -109.1 124.18 34.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 74.23 110.38 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.49 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.808 . . . . 64.21 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -55.9 -32.98 64.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 73.34 110.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 938' ' ' LEU . 39.5 t80 -58.54 -21.78 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 74.33 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 13.0 ptpt -62.89 -19.46 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 73.11 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.53 4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.14 110.249 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.526 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.3 mt -111.33 -19.85 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 55.41 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -124.1 149.63 45.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.32 110.999 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -125.11 135.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 65.05 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -98.43 133.79 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.05 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.83 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -110.55 122.48 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.51 110.319 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.55 104.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 71.35 110.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.948 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.2 t-20 -153.14 129.79 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 61.21 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.45 -7.91 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 65.25 109.339 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.948 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.29 -13.42 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 35.13 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.7 mm? -103.42 -77.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.31 109.28 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.496 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.7 pp0? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 35.52 110.253 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 973' ' ' VAL . 11.7 tm0? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.305 -0.257 . . . . 74.14 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -113.34 156.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.272 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.56 -23.18 12.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 72.24 109.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.27 -138.96 6.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 70.21 111.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.7 144.25 50.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 64.03 110.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 960' ' ' ILE . . . . . . . . . . . . . 17.7 pt -101.82 135.4 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 35.32 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.83 HD11 ' HD3' ' A' ' 942' ' ' ARG . 23.7 pt -134.7 148.4 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.42 109.26 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -66.61 -174.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.24 108.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.45 ' HE2' HD11 ' A' ' 940' ' ' ILE . 3.9 mmmm -58.66 -51.7 68.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 75.14 109.311 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.78 -38.69 72.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 43.51 108.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.78 36.96 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 53.52 111.057 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.5 tp60 -95.23 116.07 28.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 72.34 110.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.775 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.2 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 34.41 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.742 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -70.34 -31.92 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 74.22 108.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 167.11 -123.52 1.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 71.02 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.69 163.86 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 74.23 110.43 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 28.1 tpp -111.59 105.14 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.09 . . . . 70.14 111.006 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 972' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 1.9 mtm -81.78 172.42 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 64.1 110.971 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 955' ' ' GLN . 45.0 t -137.71 158.38 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.42 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.922 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.5 t-80 -157.47 101.79 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.02 109.572 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.8 mttp 61.7 15.34 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 74.34 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.92 1.93 34.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 73.33 110.958 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.8 OUTLIER -79.34 166.43 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 73.03 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.782 ' N ' HD13 ' A' ' 977' ' ' LEU . 0.5 OUTLIER -116.01 112.02 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.21 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -121.7 97.06 46.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.5 109.274 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.489 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.91 113.91 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 75.43 111.073 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.64 105.11 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 72.41 108.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -82.92 155.5 24.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 70.44 109.259 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 46.7 mttt -124.78 121.34 34.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 70.15 109.234 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.52 -30.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.24 109.252 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -64.19 -14.3 54.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.12 110.314 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.1 m-20 -115.68 0.41 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 62.21 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.742 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.1 m-85 -126.64 -179.37 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.31 110.957 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 988' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 998' ' ' LYS . 3.2 t -138.94 162.39 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.42 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.31 136.65 58.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 73.44 109.294 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.439 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.6 t -132.09 132.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 73.32 109.346 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.619 ' CD1' HG22 ' A' ' 903' ' ' ILE . 65.2 m-85 -96.64 135.02 39.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.03 110.997 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 55.32 109.284 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 990' ' ' VAL . 11.9 ttmt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.3 -0.63 . . . . 74.22 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 998' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 988' ' ' VAL . 0.1 OUTLIER -105.26 150.99 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 55.34 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -127.92 110.61 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 65.44 110.282 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.465 ' C ' ' CG2' ' A' ' 984' ' ' ILE . 83.7 m-85 -101.87 -177.35 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.14 110.965 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.526 ' CA ' HG22 ' A' ' 984' ' ' ILE . 36.0 pttt -123.1 -47.45 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.45 109.301 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.546 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttm -119.89 151.44 38.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 52.01 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.693 ' HA ' HD12 ' A' ' 984' ' ' ILE . 60.7 m95 -62.72 -34.83 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 74.53 107.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.546 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -53.39 -27.28 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 70.14 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -69.68 -34.41 73.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 74.44 110.29 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -51.37 108.55 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 61.4 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.457 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 71.14 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.47 130.85 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.32 109.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 t -65.78 137.9 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 54.25 110.386 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -124.59 166.03 21.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.12 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 65.21 111.004 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.264 -0.643 . . . . 75.51 109.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 899' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 902' ' ' LEU . 5.9 t-20 -128.59 124.43 22.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 71.2 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.513 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 1.34 7.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 71.34 110.953 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.0 t -87.7 -24.7 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 71.35 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 902' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 899' ' ' ASN . 0.5 OUTLIER -91.32 -24.15 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.03 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.54 156.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 61.11 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.84 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.33 162.49 39.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 70.1 110.425 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' ' 920' ' ' ILE . 9.0 m-30 -104.13 140.76 37.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.04 111.003 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.5 OUTLIER -134.5 176.11 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.32 109.356 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.44 122.18 33.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.025 -0.988 . . . . 53.32 110.928 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -52.82 -60.29 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 51.24 109.308 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -45.08 -57.74 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 62.21 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -100.01 -101.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.01 108.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.7 p 154.55 41.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.4 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.06 131.24 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 72.15 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.22 107.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 63.02 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -34.76 18.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 61.45 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.967 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.12 165.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 72.35 108.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.6 ' CB ' HG23 ' A' ' 904' ' ' THR . 8.9 t -109.01 159.85 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 34.51 110.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.61 -52.86 35.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 41.23 111.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.416 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -59.33 -25.28 64.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 74.21 110.251 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 29.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.05 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.528 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.26 156.43 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 54.33 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -124.81 159.41 31.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 65.43 109.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.21 109.312 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 981' ' ' CYS . 4.7 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.279 -0.638 . . . . 61.4 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.13 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 64.41 109.323 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 30.7 mmm -83.92 46.75 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.53 110.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.967 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.04 126.2 31.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.21 110.378 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.472 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.93 -45.23 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 61.51 111.052 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.535 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.4 pt-20 -58.97 -28.98 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.14 110.346 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.693 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 78.4 t80 -68.53 -19.43 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 74.24 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -65.64 -17.34 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 73.1 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -105.0 4.65 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 73.51 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.59 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -110.23 -11.48 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 70.13 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -127.69 149.27 50.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.24 110.99 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.53 138.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 60.24 109.272 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.83 136.16 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 63.13 109.336 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.839 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.21 119.36 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 73.52 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -45.2 104.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.22 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.938 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.5 t-20 -155.11 129.22 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.04 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -96.72 -7.06 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 74.11 109.308 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.938 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.29 -13.08 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 73.44 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.5 mm? -100.53 -55.65 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 62.35 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.541 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.21 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.4 tm0? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.282 -0.266 . . . . 72.42 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -113.32 158.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 73.31 109.293 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -104.33 -24.74 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.1 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.95 -139.7 6.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 53.32 110.983 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -125.66 133.9 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 72.4 110.306 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 941' ' ' VAL . 20.1 pt -92.75 136.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.34 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.839 HD11 ' HD3' ' A' ' 942' ' ' ARG . 15.4 pt -138.65 145.17 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 74.5 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.65 -174.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.31 108.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.684 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -60.6 -51.63 68.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 74.31 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.3 m -56.33 -35.1 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 65.13 108.261 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.88 39.26 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 72.22 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.5 tp60 -96.29 121.34 37.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 70.13 110.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.72 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.27 91.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 72.21 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.7 m0 -65.45 -39.34 91.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 73.31 108.024 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.8 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 74.35 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.42 156.53 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 73.54 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.4 tpp -102.19 100.34 10.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.43 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 972' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 2.6 mtm -82.09 166.41 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.51 110.971 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 977' ' ' LEU . 9.6 t -143.37 138.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 54.12 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.7 t-80 -127.3 101.51 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.51 109.579 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.6 mttp 59.18 21.34 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.25 109.347 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.3 12.35 29.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 72.24 111.03 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.735 ' O ' HG13 ' A' ' 973' ' ' VAL . 16.7 tp -83.59 166.19 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 72.05 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -119.26 110.03 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 75.11 109.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.62 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -139.55 98.07 8.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 72.44 109.267 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 117.42 4.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.766 . . . . 62.41 111.028 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 981' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -95.73 106.66 18.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.13 108.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -89.48 164.71 14.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 65.23 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -125.14 122.1 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 64.24 109.328 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -59.24 -19.07 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 72.14 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.78 -6.33 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.44 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 28.4 m120 -123.48 -1.64 8.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 64.1 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.9 m-85 -121.56 -176.85 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.41 110.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.02 161.81 28.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.44 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.61 123.77 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 71.4 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.1 t -113.49 121.43 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 70.44 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -90.11 119.63 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 64.43 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 73.21 109.261 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.632 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.8 ttmt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.351 -0.611 . . . . 74.3 109.351 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -109.72 160.65 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 74.24 109.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -127.7 105.99 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 64.31 110.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.479 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 70.1 m-85 -94.14 -170.9 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.41 110.992 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.5 pttp -128.36 -47.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 73.53 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.728 ' HB3' HG12 ' A' 1004 ' ' VAL . 33.2 mttt -121.15 155.26 34.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 62.25 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 984' ' ' ILE . 25.2 m95 -66.75 -23.58 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.33 107.988 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -65.36 -28.47 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 65.01 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.88 -16.47 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 74.41 110.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.768 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -70.79 114.09 23.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 63.54 109.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.84 10.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 51.01 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.627 HG21 ' CD1' ' A' ' 903' ' ' ILE . 1.0 OUTLIER -92.41 134.0 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.3 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -69.92 158.49 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 35.24 110.386 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.768 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.0 m-85 -134.57 161.82 61.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 63.05 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 45.13 110.988 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' 1007 ' ' PRO . 19.1 t-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 72.3 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -115.96 123.33 31.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.22 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.519 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 75.55 111.048 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 10.9 t -84.89 -26.37 27.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 71.21 109.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.39 -27.04 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 70.34 109.304 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -96.08 158.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.32 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.6 158.14 43.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 70.54 110.447 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.8 m-30 -99.53 139.36 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 54.43 111.031 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.78 176.37 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 65.34 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 49.8 t -89.21 122.81 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.971 -1.013 . . . . 75.14 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -53.35 -60.4 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.24 109.3 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -45.43 -57.01 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 73.32 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.0 m -100.64 -101.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 73.05 108.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.84 43.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 71.03 109.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.99 131.94 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.41 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -61.05 106.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.43 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.54 -34.67 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 54.41 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.42 ' SG ' ' ND2' ' A' ' 930' ' ' ASN . 1.1 p -179.24 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.23 108.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.587 ' CB ' HG23 ' A' ' 904' ' ' THR . 41.9 p -104.6 160.38 15.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.11 109.997 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 917' ' ' GLY . . . . . 0.417 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -55.41 -50.84 58.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 62.41 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -24.46 66.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 65.5 110.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -93.15 28.84 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.43 109.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.531 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -133.24 157.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.43 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -126.24 153.71 44.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.42 109.629 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.294 -0.632 . . . . 71.41 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 915' ' ' CYS . 6.2 t-20 -95.74 95.76 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 75.41 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 49.6 mtt -84.56 46.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 71.4 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.559 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -103.66 123.99 39.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.4 110.433 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.459 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -75.02 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.552 1.817 . . . . 73.01 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.559 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -60.23 -27.2 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.23 110.341 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.844 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 81.6 t80 -70.14 -19.58 63.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.44 110.969 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.6 ptpt -65.45 -16.66 63.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.24 109.22 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.04 4.35 31.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 64.24 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.589 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 14.5 mt -109.85 -15.46 14.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.2 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.623 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -122.41 150.32 42.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.22 110.995 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.79 137.19 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 75.32 109.333 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.618 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -103.76 132.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 24.13 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.11 124.54 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 73.21 110.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -46.78 104.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 73.13 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.881 HD22 ' HB3' ' A' ' 946' ' ' ALA . 12.5 t-20 -155.37 123.08 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.22 109.294 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -93.48 -7.97 42.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.43 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.881 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.09 -12.8 42.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.32 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -102.05 -57.2 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.04 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.533 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.41 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 973' ' ' VAL . 11.2 tm0? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.302 -0.259 . . . . 74.43 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.533 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -108.71 158.74 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 64.42 109.328 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -102.99 -25.77 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.21 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.35 -137.5 4.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 22.41 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.93 138.39 54.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 72.31 110.302 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.577 HG22 HG23 ' A' ' 941' ' ' VAL . 7.9 pt -97.67 134.22 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 71.02 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.84 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -137.68 148.21 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 73.11 109.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.05 -174.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 64.34 108.283 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -62.14 -51.77 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 55.23 109.317 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.8 m -55.08 -34.48 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 65.41 108.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.5 37.73 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 41.01 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.5 tp60 -95.98 121.29 37.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 0.798 . . . . 74.34 110.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.59 92.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 70.14 109.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 7.2 m0 -65.63 -38.72 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.01 107.999 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.469 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 170.95 -117.89 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 72.01 111.017 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.448 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -152.63 164.64 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 42.22 110.438 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.569 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 26.4 tpp -109.88 96.41 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.24 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 28.7 mtp -82.09 153.64 25.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 74.2 110.996 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.0 t -124.0 147.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.52 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.765 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -138.46 101.38 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.02 109.585 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 60.63 22.37 12.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.42 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.55 1.37 50.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 73.23 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.721 ' O ' HG13 ' A' ' 973' ' ' VAL . 9.2 tp -79.39 166.66 21.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 75.41 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -116.02 114.54 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 74.12 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -133.7 96.55 16.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.31 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.569 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.96 121.32 6.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 72.12 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 981' ' ' CYS . . . . . 0.567 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -98.43 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 51.15 108.359 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.844 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -97.17 145.71 25.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 75.44 109.26 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -109.28 126.88 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 71.55 109.271 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -58.93 -26.57 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 74.33 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 6.3 ptt180 -66.3 -7.89 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.43 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 18.4 m120 -117.96 -5.83 11.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 74.33 109.264 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.2 m-85 -121.86 -175.93 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 72.11 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.33 162.18 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.11 109.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -119.89 124.18 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.41 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.89 116.35 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 62.4 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.03 118.2 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 54.04 110.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 992' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' A' ' 992' ' ' LYS . 8.8 mtmp? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 61.35 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.633 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.9 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.277 -0.638 . . . . 54.44 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.37 151.79 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 73.35 109.249 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -118.29 104.89 11.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.23 110.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.491 ' CB ' HG21 ' A' ' 984' ' ' ILE . 59.2 m-85 -92.01 -174.47 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 75.05 111.002 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.536 ' CA ' HG22 ' A' ' 984' ' ' ILE . 10.5 pttt -124.58 -48.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.53 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.504 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.75 159.53 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 64.45 109.278 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.658 ' HA ' HD12 ' A' ' 984' ' ' ILE . 48.0 m95 -71.0 -16.76 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.51 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.4 p -72.74 -32.9 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.11 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.12 -19.49 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.23 110.328 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.55 116.58 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 75.33 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.472 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 60.32 111.059 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.468 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -87.01 133.14 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.41 109.259 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -80.58 121.7 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.42 110.43 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.717 ' CE1' HD23 ' A' 1006 ' ' LEU . 8.9 m-85 -93.57 165.63 17.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.01 110.995 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.494 1.787 . . . . 74.14 111.014 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.352 -0.61 . . . . 55.12 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -144.71 130.03 9.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 73.43 109.249 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.483 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.02 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 70.33 110.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.02 -26.47 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 71.51 110.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -27.97 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 72.43 109.324 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.503 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.5 OUTLIER -95.93 156.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.15 109.305 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.877 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.47 161.99 40.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.02 110.424 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.626 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.3 m-30 -99.23 139.37 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 75.23 111.002 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.4 mt -133.92 173.56 11.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 54.22 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.501 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.6 t -92.25 114.5 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.003 -0.999 . . . . 64.32 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -46.71 -58.96 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.23 109.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 909' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.7 m-20 -46.9 -58.38 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 72.33 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 911' ' ' SER . 70.8 m -99.12 -102.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 52.41 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.1 m 156.89 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 74.43 110.02 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -95.55 135.07 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.44 109.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.877 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.61 108.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 61.53 109.258 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.82 -35.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 63.21 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -176.62 162.99 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.54 108.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 904' ' ' THR . 42.8 p -109.7 158.84 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 53.15 110.007 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.6 -54.7 28.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.15 . . . . 70.33 110.989 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 8.1 pt-20 -52.71 -28.86 23.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 72.34 110.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 919' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 5.8 t0 -93.19 29.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.04 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.6 mm -133.09 149.98 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.44 109.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -121.15 158.55 27.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 64.43 109.62 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 64.21 109.294 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.329 -0.619 . . . . 64.42 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 5.6 t-20 -98.47 95.95 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 70.53 109.282 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 22.7 mmm -83.14 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 60.53 110.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.435 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -107.91 121.97 42.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 64.51 110.359 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.0 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 72.52 111.019 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.4 pt-20 -55.7 -32.97 63.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.34 110.297 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.36 -22.81 61.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.04 110.989 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.3 ptpt -64.35 -15.86 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 74.21 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -105.15 4.28 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.44 110.344 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.403 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 12.4 mt -111.57 -22.89 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 74.34 109.26 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.732 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -120.17 151.73 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 74.33 110.974 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.57 137.44 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 73.1 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.732 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -95.47 134.63 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 63.52 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.649 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -112.98 121.05 43.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.31 110.292 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -46.39 104.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 44.24 110.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.985 HD22 ' HB3' ' A' ' 946' ' ' ALA . 8.9 t-20 -155.71 115.83 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 54.22 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -86.7 -7.72 58.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 54.45 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.985 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.96 -14.5 48.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 70.01 109.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.5 mm? -104.53 -58.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 63.31 109.277 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.501 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.33 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 973' ' ' VAL . 12.4 tp60 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.342 -0.244 . . . . 74.1 110.342 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.25 157.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 75.1 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -102.18 -25.82 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 63.22 109.315 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.0 -141.18 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 62.11 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -126.11 128.71 47.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 75.43 110.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.475 HG22 ' CE1' ' A' ' 939' ' ' TYR . 10.7 pt -84.72 134.51 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 75.43 109.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.815 HG22 ' HA ' ' A' ' 967' ' ' ALA . 26.7 pt -136.6 145.42 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 55.11 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.38 -175.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.12 108.299 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -61.05 -51.34 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 74.01 109.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.5 m -54.84 -36.38 64.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 64.14 108.265 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.3 37.38 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 51.43 110.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 23.2 tp60 -98.27 122.26 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 62.14 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.815 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.5 101.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.32 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.608 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -76.04 -34.66 59.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.04 108.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.65 -124.57 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 73.11 110.993 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.74 153.91 36.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 63.22 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.5 tpp -98.08 92.67 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.02 110.998 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.0 mtp -81.88 148.35 28.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 73.32 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 977' ' ' LEU . 7.9 t -120.38 150.35 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 62.45 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.752 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.68 97.71 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 64.13 109.578 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 26.4 mttm 60.8 23.44 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.23 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.43 -0.71 43.15 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 73.42 110.948 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 973' ' ' VAL . 7.6 tp -79.27 166.76 21.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 71.5 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -115.08 118.21 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.45 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -139.46 96.75 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.32 109.291 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 123.61 7.98 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 74.3 111.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.38 104.96 15.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 61.34 108.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.3 OUTLIER -78.67 165.13 23.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.41 109.276 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 73.0 mttt -130.74 116.42 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.51 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.3 mt -58.49 -19.45 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 63.43 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.3 OUTLIER -72.57 -5.46 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 63.14 110.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 17.0 m120 -128.42 3.01 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 62.51 109.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.608 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 22.6 m-85 -123.85 -175.77 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.4 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.02 154.64 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.13 109.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.69 116.5 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 73.02 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.465 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.8 t -114.98 121.46 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 64.12 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -78.11 137.71 38.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.4 110.988 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.01 109.301 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 61.1 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 998' ' ' LYS . . . . . 0.428 ' HB3' ' CE2' ' A' 1000 ' ' TYR . 5.2 mptt -104.89 129.72 53.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 75.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -110.97 109.8 20.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.23 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.467 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.8 m-85 -102.53 -172.13 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 72.4 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 16.6 pttm -126.44 -44.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.03 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.723 ' HB3' HG12 ' A' 1004 ' ' VAL . 27.7 mttm -119.97 155.62 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 71.53 109.323 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.787 ' HA ' HD12 ' A' ' 984' ' ' ILE . 32.1 m95 -71.42 -17.19 62.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 73.34 108.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -67.47 -26.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.45 109.269 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.34 -33.82 69.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 64.45 110.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.653 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -52.11 107.5 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.01 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 64.44 110.993 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.503 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -89.62 130.04 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 74.43 109.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.1 t -67.32 146.01 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.45 110.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.653 ' CE1' HD23 ' A' 1006 ' ' LEU . 4.3 m-85 -123.9 162.6 40.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.12 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 71.34 110.987 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.5 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.28 -0.637 . . . . 74.04 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -119.48 129.51 25.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 52.44 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.485 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.07 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 71.4 111.016 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -84.07 -24.98 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 72.54 109.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 902' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.4 OUTLIER -86.51 -28.18 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 73.03 109.304 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -95.91 155.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 61.04 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.867 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -146.44 158.87 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 75.21 110.413 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.36 139.37 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.24 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.8 OUTLIER -133.64 177.37 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 63.42 109.308 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.652 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.9 t -92.65 121.28 33.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.069 -0.968 . . . . 74.03 110.942 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -51.82 -61.38 2.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.34 109.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -44.8 -58.51 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.31 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 911' ' ' SER . 74.1 m -98.51 -102.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.4 108.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.4 p 154.99 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.14 110.022 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.67 133.73 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 64.01 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.867 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.87 106.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.12 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.67 -35.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.04 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 54.22 108.319 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 19.0 t -103.99 163.54 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 73.24 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -62.5 -42.44 99.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 65.45 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 5.9 pt-20 -62.87 -28.07 69.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 75.04 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 919' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.8 t0 -94.28 30.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 63.52 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.8 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.1 mm -133.5 149.33 31.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 65.11 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -113.9 174.06 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.41 109.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 74.03 109.294 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 929' ' ' VAL . . . . . 0.408 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.2 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.627 . . . . 75.24 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.0 t30 -119.23 96.78 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 51.42 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.4 mmt -82.65 47.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.44 111.033 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.602 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.71 123.63 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 72.3 110.362 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.471 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -75.0 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 44.34 110.976 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.7 -33.73 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.32 110.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.637 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 76.6 t80 -62.47 -18.35 61.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 73.43 110.947 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.9 ptpt -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.34 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -103.55 4.2 35.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.42 110.352 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.463 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.8 mt -111.59 -18.45 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 65.32 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -121.51 149.18 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.34 111.011 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.0 137.38 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.22 109.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.639 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -102.37 125.9 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 54.31 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -97.46 139.25 33.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.23 110.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.32 104.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.1 110.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.94 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.5 t-20 -157.59 129.3 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 65.55 109.292 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -96.71 -6.49 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 74.32 109.329 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.94 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -65.11 -12.86 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 34.51 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.6 mm? -101.82 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.23 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.524 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.44 110.363 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.303 -0.258 . . . . 72.12 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -112.21 159.2 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.51 109.258 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -103.55 -25.6 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.25 109.296 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.28 -138.17 5.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 74.24 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.19 131.19 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 71.14 110.291 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 939' ' ' TYR . 8.8 pt -86.31 137.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 73.45 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.742 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.2 pt -139.47 143.96 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.33 109.303 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.652 ' HG ' ' HG ' ' A' ' 907' ' ' CYS . 0.9 OUTLIER -63.96 -174.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 72.24 108.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.5 mmmm -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 75.22 109.291 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -56.14 -34.82 66.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 72.12 108.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.86 37.5 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 74.42 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.0 tp60 -96.73 120.27 36.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 74.33 110.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.742 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.72 99.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 63.35 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.1 m0 -73.65 -28.24 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 73.32 107.977 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.554 ' O ' HG23 ' A' ' 970' ' ' THR . . . 162.93 -116.07 0.69 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 75.12 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -155.74 163.14 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 72.23 110.406 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.539 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -108.94 96.19 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 72.24 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.3 mtp -82.09 154.92 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.32 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 977' ' ' LEU . 13.9 t -127.98 147.56 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.42 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -136.92 101.86 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 62.24 109.58 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 22.7 mttm 63.0 17.42 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 74.12 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.19 3.11 35.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 60.12 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.889 ' O ' HG13 ' A' ' 973' ' ' VAL . 19.0 tp -79.31 167.34 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 64.04 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.984 ' C ' HD23 ' A' ' 979' ' ' LEU . 13.1 m-20 -117.03 114.57 23.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.52 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.984 HD23 ' C ' ' A' ' 978' ' ' ASP . 0.0 OUTLIER -134.39 97.16 14.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 75.41 109.263 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.539 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.99 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.46 1.768 . . . . 54.02 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 981' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -97.76 106.77 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 61.02 108.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.637 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -86.22 173.72 9.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.2 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -132.8 122.88 25.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 65.11 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -60.19 -19.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 64.31 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.61 -11.98 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.34 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 23.2 m120 -117.97 -4.46 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 75.02 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.2 m-85 -117.14 -176.72 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.33 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.0 159.44 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 74.04 109.33 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' 1006 ' ' LEU . 2.5 t -122.11 118.86 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.24 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.5 t -116.64 120.54 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 55.25 109.252 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.41 ' CD2' HG22 ' A' ' 903' ' ' ILE . 71.8 m-85 -80.8 137.32 36.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.32 111.023 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 992' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 902' ' ' LEU . 14.4 ttmt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 61.41 109.307 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.628 . . . . 72.54 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 141.78 41.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 65.15 109.309 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -117.2 111.08 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 61.42 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.478 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 60.9 m-85 -101.01 -170.94 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 71.55 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.567 ' CA ' HG22 ' A' ' 984' ' ' ILE . 40.5 pttt -130.99 -45.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.21 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.654 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.4 mmtp -117.66 148.9 41.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 72.43 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.742 ' HA ' HD12 ' A' ' 984' ' ' ILE . 54.8 m95 -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.32 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.654 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.1 p -56.98 -32.03 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 55.21 109.285 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.09 -23.41 67.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.43 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.1 tp -60.79 118.45 35.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 71.23 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 74.23 111.011 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.49 128.32 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 55.33 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -67.92 140.79 56.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 54.35 110.415 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.882 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -116.85 165.07 16.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.44 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 75.24 110.957 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.1 t-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 72.24 109.277 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -109.83 127.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 55.1 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.518 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 71.02 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 4.5 t -84.86 -24.54 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 54.23 110.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -26.36 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 74.24 109.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -97.31 157.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 71.35 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.85 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -149.38 163.63 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.44 110.416 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.8 m-30 -100.47 136.61 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.23 111.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 990' ' ' VAL . 1.1 mt -135.49 158.3 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 64.14 109.244 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 44.5 t -75.44 121.47 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 74.44 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -52.55 -60.09 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 73.34 109.284 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 909' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.4 m-20 -43.89 -58.91 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 74.44 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.6 m -98.49 -101.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 51.21 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.5 p 155.71 42.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.22 110.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.96 135.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.32 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.85 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.52 108.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.13 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.49 ' HB3' ' HE1' ' A' ' 987' ' ' PHE . . . -89.05 -34.89 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.78 164.38 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 24.51 108.281 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.572 ' CB ' HG23 ' A' ' 904' ' ' THR . 69.6 p -111.21 157.2 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 64.32 110.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.96 45.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 55.23 110.962 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 1.7 pp20? -56.88 -27.0 60.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 71.34 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.21 30.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 70.23 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.8 mm -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 71.01 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -122.21 171.21 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 73.33 109.612 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.41 109.297 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.339 -0.615 . . . . 64.11 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 6.0 t-20 -101.46 95.34 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 71.4 109.315 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 26.2 mtt -85.66 47.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 64.02 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.608 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -105.34 123.87 38.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 64.31 110.372 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 73.5 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.608 ' HG2' HG22 ' A' ' 932' ' ' THR . 15.3 pt-20 -56.12 -34.02 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.42 110.267 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -59.34 -21.37 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 75.52 111.037 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.555 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.8 ptpt -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 75.22 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -104.96 2.3 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.31 110.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 914' ' ' ALA . 18.0 mt -109.07 -25.38 10.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.12 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.3 OUTLIER -118.98 152.75 35.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.4 110.952 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 963' ' ' LYS . 1.4 mt -125.71 135.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 75.11 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -98.35 135.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 65.01 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.87 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -112.64 117.34 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 75.03 110.351 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -43.98 104.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 73.24 110.263 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.895 HD22 ' HB3' ' A' ' 946' ' ' ALA . 12.0 t-20 -153.01 123.16 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 72.04 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -7.82 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.22 109.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.895 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.68 -13.21 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 61.42 109.336 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.5 mm? -102.2 -57.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.43 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 71.23 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 973' ' ' VAL . 8.3 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.263 -0.273 . . . . 51.54 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -111.79 158.39 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 75.42 109.27 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -103.79 -25.51 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 61.41 109.314 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.33 -139.96 6.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 71.42 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.87 141.19 51.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 71.45 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.435 HG22 HG23 ' A' ' 941' ' ' VAL . 9.3 pt -99.14 135.28 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.43 109.324 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.87 HD11 ' HD3' ' A' ' 942' ' ' ARG . 24.7 pt -137.64 146.71 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 74.15 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.81 -177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.15 108.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.604 ' HD2' HD11 ' A' ' 940' ' ' ILE . 5.7 mmtt -62.55 -48.98 77.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.3 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.3 m -56.51 -31.1 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 74.25 108.303 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 108.94 41.95 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 41.35 111.047 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 16.7 tp60 -106.15 122.54 46.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 62.22 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.832 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.78 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 51.21 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.3 m0 -82.22 -27.26 32.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.21 108.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.43 -117.43 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 62.14 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -156.49 172.73 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 74.23 110.427 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.4 tpp -116.51 93.83 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 73.13 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.2 mtp -81.82 153.46 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 63.11 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -124.86 150.5 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.41 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.0 t-80 -143.13 102.28 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 72.31 109.64 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 28.5 mttt 65.65 21.38 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 73.35 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.88 -0.75 57.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 63.34 110.973 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.64 161.34 25.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 75.34 109.292 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.859 ' H ' HD13 ' A' ' 977' ' ' LEU . 73.3 m-20 -105.82 114.8 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 52.01 109.322 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.31 97.74 10.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 72.53 109.307 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.488 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.04 146.36 32.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.538 1.809 . . . . 65.35 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.96 101.84 7.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 72.13 108.274 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.496 ' N ' HD13 ' A' ' 982' ' ' LEU . 0.2 OUTLIER -74.12 168.0 20.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 71.02 109.278 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 21.3 mttm -131.72 118.25 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 75.23 109.312 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -61.43 -19.69 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 53.31 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 3.4 ptm180 -71.97 -13.48 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 71.34 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 64.9 m-20 -119.95 -1.19 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 71.41 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 914' ' ' ALA . 6.6 m-85 -116.52 -176.23 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 70.53 111.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.5 155.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 73.52 109.302 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.78 121.1 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 54.13 109.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.62 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.2 t -116.49 117.15 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.35 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.17 135.38 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 62.53 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 65.31 109.273 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.459 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.2 ttpp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.267 -0.642 . . . . 74.33 109.267 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -104.99 129.26 53.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 51.21 109.321 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -109.45 108.46 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 63.21 110.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.475 ' CB ' HG21 ' A' ' 984' ' ' ILE . 89.8 m-85 -99.14 -171.21 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 64.42 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.562 ' CA ' HG22 ' A' ' 984' ' ' ILE . 13.8 pttp -128.52 -45.24 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 74.43 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.746 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.1 mmtp -117.63 150.65 38.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 53.12 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 52.7 m95 -67.31 -21.32 65.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.993 -1.114 . . . . 72.43 107.993 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.746 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -69.45 -25.69 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 60.15 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.41 -20.14 62.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.04 110.356 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1006 ' ' LEU . 6.2 tp -69.77 113.8 20.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.41 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.48 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.1 Cg_endo -75.01 1.18 8.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 61.42 111.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.1 mp -86.91 133.11 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.15 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.7 m -78.85 132.21 36.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.32 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -108.7 165.78 12.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 54.52 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 62.13 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 75.13 109.297 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 126.85 12.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 53.23 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.95 0.91 8.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 62.25 111.039 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.7 t -85.6 -26.07 26.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 75.31 109.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 902' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.5 OUTLIER -86.77 -25.46 24.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 63.32 109.301 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -99.69 153.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.32 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.855 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.6 158.93 43.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 61.52 110.414 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.49 137.89 38.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 74.33 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -132.87 176.84 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.34 109.329 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.1 t -91.47 117.79 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.021 -0.991 . . . . 62.11 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -49.34 -59.07 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 71.43 109.303 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -45.71 -61.2 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 73.33 109.301 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 911' ' ' SER . 82.0 m -95.93 -100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.41 108.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.2 t 154.26 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 54.41 110.0 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.17 133.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.24 109.272 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 107.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 74.23 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.589 ' HA ' HD13 ' A' ' 938' ' ' LEU . . . -86.88 -35.67 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.41 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -178.16 163.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 65.33 108.359 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.679 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.96 156.06 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 44.15 109.992 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.52 -47.7 36.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 25.41 110.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 6.8 pt-20 -60.95 -26.84 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 75.01 110.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 919' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.5 t0 -93.27 28.77 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 73.52 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.544 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.23 157.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 62.31 109.264 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -120.54 168.85 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.03 109.617 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.23 109.29 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.363 -0.606 . . . . 52.34 109.363 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -95.77 95.79 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.43 109.275 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.9 mmt -85.93 47.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.11 110.976 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.7 OUTLIER -104.72 125.28 34.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 63.53 110.413 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.2 Cg_endo -74.94 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 75.5 110.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -34.53 71.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 75.14 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 69.5 t80 -61.25 -18.73 59.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 54.01 110.997 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.2 ptpt -67.78 -16.38 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 52.24 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.68 0.55 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 74.32 110.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 914' ' ' ALA . 8.0 mt -107.39 -25.79 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 72.33 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -114.48 149.42 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 72.23 110.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.7 137.3 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.22 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -99.04 134.65 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.33 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.926 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -114.9 131.66 56.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.13 110.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.69 104.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 65.33 110.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.919 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.7 t-20 -152.92 128.46 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 72.22 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -96.65 -7.32 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.04 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.919 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.13 -12.88 43.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 53.01 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.27 -75.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.42 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.537 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 2.9 pp0? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 62.43 110.279 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.615 ' O ' HG23 ' A' ' 973' ' ' VAL . 6.8 tp-100 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.299 -0.259 . . . . 75.3 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -103.36 153.96 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 75.01 109.29 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -113.83 -15.64 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 74.54 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 958' ' ' GLY . . . . . 0.428 ' H ' HG22 ' A' ' 956' ' ' ILE . . . 159.97 -140.84 7.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 71.41 110.986 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.29 146.84 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 51.41 110.298 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.513 HG22 HG23 ' A' ' 941' ' ' VAL . 10.9 pt -102.49 134.13 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 75.13 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.926 HD11 ' HD3' ' A' ' 942' ' ' ARG . 27.3 pt -138.22 145.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.51 109.29 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.3 -174.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.262 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -61.16 -51.38 69.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 65.53 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.0 m -56.02 -35.1 66.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 24.53 108.257 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.64 39.4 1.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 41.22 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 28.3 tp60 -97.83 119.89 37.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 54.04 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.811 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.65 95.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.33 109.267 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.655 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.1 m0 -71.31 -30.68 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.41 107.972 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.82 -122.27 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 71.41 111.018 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.09 153.66 36.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 65.33 110.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 20.5 tpp -97.27 90.98 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 73.23 111.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 12.8 mtp -82.65 156.0 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.32 110.975 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.3 t -124.68 148.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 74.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.724 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.5 t-80 -137.83 104.23 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.0 109.584 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 9.0 mmtm 61.91 21.28 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.4 109.259 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 101.22 -2.54 54.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 73.03 110.974 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.32 166.9 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 64.11 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.731 ' N ' HD23 ' A' ' 977' ' ' LEU . 13.5 p-10 -109.97 115.41 29.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.53 109.258 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -132.3 96.56 19.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.53 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.02 117.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 75.32 110.981 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.79 103.81 15.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.54 108.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.8 OUTLIER -84.2 169.12 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 64.35 109.314 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -131.54 121.83 25.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 74.21 109.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.57 -21.11 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.05 109.284 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -71.0 -6.48 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 54.22 110.292 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 22.7 m120 -124.13 -1.5 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 71.33 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.655 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 27.5 m-85 -121.22 -176.2 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.52 110.985 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.37 159.09 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.11 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.88 114.58 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 72.45 109.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -114.06 123.62 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 74.41 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 903' ' ' ILE . 62.5 m-85 -80.5 139.06 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 62.12 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 992' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 902' ' ' LEU . 24.9 ttpp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 73.54 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.643 ' HB2' HG22 ' A' ' 990' ' ' VAL . 17.7 ttmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.321 -0.622 . . . . 63.44 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.57 130.29 54.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.52 109.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.13 110.83 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 74.41 110.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.482 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.1 m-85 -102.88 -172.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.53 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.533 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.4 pttt -125.69 -48.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 60.12 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.743 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.1 mttm -118.97 157.59 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.01 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.723 ' HA ' HD12 ' A' ' 984' ' ' ILE . 20.2 m95 -69.72 -24.97 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 72.41 107.995 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.743 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -60.57 -21.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 63.11 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.73 -26.16 44.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.35 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.29 110.95 3.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 70.43 109.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -0.89 10.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 71.22 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -93.48 130.73 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 70.25 109.266 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.5 t -66.64 158.61 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 72.45 110.41 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.884 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.5 m-85 -129.71 165.74 30.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 63.3 111.047 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.31 111.005 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.257 -0.645 . . . . 74.42 109.257 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -145.23 126.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 63.43 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 1.91 7.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 72.01 111.048 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 29.2 t -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 54.53 110.009 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.54 -25.35 20.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 55.45 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -97.5 157.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 72.5 109.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.827 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.5 158.83 44.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 73.44 110.379 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.5 m-30 -100.35 139.23 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.52 111.047 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.25 177.39 7.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 52.55 109.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 47.6 t -89.84 123.73 34.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.978 -1.01 . . . . 53.41 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.57 -59.5 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 61.03 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -46.53 -59.81 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.14 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.6 m -97.02 -101.14 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 72.42 108.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.5 OUTLIER 154.46 41.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 33.13 110.019 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.06 133.72 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 72.52 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.35 106.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 63.34 109.287 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.33 -35.71 19.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 75.23 109.359 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -176.74 165.51 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 72.24 108.302 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 904' ' ' THR . 60.4 p -108.63 157.11 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.4 109.942 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.87 -52.29 43.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 51.02 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.1 pp20? -55.17 -28.95 56.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 72.31 110.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.39 28.06 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.23 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.787 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.0 mm -133.45 150.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.24 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -114.94 178.66 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.52 109.608 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 63.23 109.31 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.317 -0.623 . . . . 71.52 109.317 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.787 ' OD1' HD13 ' A' ' 920' ' ' ILE . 65.2 t30 -99.45 96.01 7.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 61.43 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.1 mtt -83.07 47.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.13 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -105.94 127.2 28.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.32 110.442 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.36 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 75.43 111.027 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.1 pt-20 -56.1 -34.55 66.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.22 110.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.896 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 64.9 t80 -59.29 -21.52 59.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.24 110.986 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -64.62 -16.16 62.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 72.41 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.3 5.87 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.11 110.281 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 935' ' ' PHE . 8.0 mt -113.2 -14.57 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.24 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -127.65 149.48 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.3 111.009 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.4 mt -124.09 138.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.52 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 960' ' ' ILE . 2.1 t -104.99 129.25 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 71.42 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -103.25 143.56 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 72.33 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.46 104.61 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 75.22 110.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.954 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.2 t-20 -154.44 130.13 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.33 109.243 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -96.63 -8.17 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.1 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.954 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.24 -13.33 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 44.01 109.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -102.79 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 33.35 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.527 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.5 pp0? . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 75.24 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 973' ' ' VAL . 7.6 tp60 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.318 -0.253 . . . . 61.31 110.318 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 971' ' ' MET . 1.1 mm -118.15 157.08 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.23 109.268 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -99.45 -27.08 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 72.25 109.312 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.09 -137.52 5.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 34.02 111.009 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -125.02 135.21 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 73.21 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.672 HG22 HG23 ' A' ' 941' ' ' VAL . 20.3 pt -93.52 138.18 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 51.42 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 967' ' ' ALA . 15.6 pt -138.81 149.4 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 74.51 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.73 -174.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 75.31 108.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -62.55 -51.42 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 70.14 109.294 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 11.8 m -56.02 -32.7 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 52.32 108.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 109.89 39.68 1.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 71.04 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 24.0 tp60 -97.35 124.71 41.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 71.11 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.745 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.28 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.53 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.706 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.3 m0 -67.79 -42.67 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.43 108.03 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 970' ' ' THR . . . 175.62 -118.85 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 72.11 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -153.81 164.1 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 60.45 110.404 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.587 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.6 tpp -109.54 97.09 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.13 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 15.0 mtp -81.73 153.18 26.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.33 111.023 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 977' ' ' LEU . 12.8 t -121.39 151.42 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 65.11 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.796 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.8 92.56 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.22 109.6 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm 61.08 23.77 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.12 109.27 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.16 -1.09 33.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.464 1.103 . . . . 63.15 111.0 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 978' ' ' ASP . 1.0 OUTLIER -79.07 167.39 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.805 . . . . 73.12 109.311 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.721 ' H ' HD23 ' A' ' 977' ' ' LEU . 2.4 m-20 -117.87 119.58 35.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 73.24 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -138.43 96.26 9.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 72.3 109.315 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.587 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 71.2 110.963 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 981' ' ' CYS . . . . . 0.508 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -97.13 111.67 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 70.21 108.309 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.896 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -98.5 145.32 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.52 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.493 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.1 OUTLIER -106.26 126.02 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.23 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.3 mt -59.15 -26.85 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.42 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.493 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -66.88 -7.61 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 74.32 110.285 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 16.6 m120 -117.95 -5.77 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 60.4 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.706 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 26.6 m-85 -121.29 -176.09 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 70.31 110.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 13.3 t -137.34 162.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.32 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.8 t -120.73 123.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 43.54 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -115.0 122.57 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 74.24 109.298 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 903' ' ' ILE . 51.2 m-85 -90.04 117.33 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 72.55 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 73.22 109.285 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.0 ttmt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 72.42 109.291 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.07 169.81 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.53 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -136.08 106.96 6.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 72.33 110.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.48 ' CB ' HG21 ' A' ' 984' ' ' ILE . 74.2 m-85 -95.63 -173.09 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 61.5 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 37.5 pttt -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 70.35 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.695 ' HB3' HG12 ' A' 1004 ' ' VAL . 14.6 mttm -119.97 158.37 26.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.01 109.332 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.597 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.0 m95 -69.17 -19.84 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.24 108.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.695 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -69.92 -24.85 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 73.31 109.292 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.03 -18.44 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 74.53 110.301 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.8 tp -69.71 115.29 31.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 62.11 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.36 11.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 42.34 110.988 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -90.84 133.57 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 61.5 109.279 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.2 t -70.63 152.93 43.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.34 110.38 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.2 m-85 -133.18 164.12 46.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.55 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 64.31 110.982 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' 1007 ' ' PRO . 11.9 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 71.33 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.82 129.19 24.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 65.22 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -75.03 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 51.21 110.981 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.2 t -84.64 -23.6 29.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 71.43 110.038 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -28.86 21.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 72.53 109.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.585 HD13 HG12 ' A' 1008 ' ' ILE . 0.5 OUTLIER -96.47 152.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 71.13 109.272 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.06 160.02 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 73.11 110.404 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.2 m-30 -100.79 141.12 34.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.31 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 905' ' ' PHE . 0.8 OUTLIER -135.65 176.32 8.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 73.22 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.495 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.3 t -91.37 120.56 32.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.99 -1.004 . . . . 60.23 110.92 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -51.31 -60.37 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 73.31 109.285 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -45.65 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 31.4 109.29 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.1 m -97.92 -100.46 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.21 108.259 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.3 t 153.15 42.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 70.14 110.034 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.97 130.8 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 42.42 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.69 107.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 73.11 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.418 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.84 -34.61 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 60.04 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.78 160.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 55.41 108.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -105.52 157.5 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 63.33 110.036 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.0 -45.52 56.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 72.24 111.007 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 0.3 OUTLIER -63.05 -28.77 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 0.763 . . . . 61.11 110.324 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.14 31.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 62.2 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.55 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.2 mm -133.57 144.42 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 75.31 109.363 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -111.7 148.92 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 75.43 109.624 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 73.1 109.303 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 71.34 109.261 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.55 ' OD1' HD13 ' A' ' 920' ' ' ILE . 59.0 t30 -99.55 95.42 6.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 74.52 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 9.1 mtt -83.98 47.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 73.4 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 1.2 m -109.85 126.77 28.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 50.0 110.43 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 74.45 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.83 -24.89 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.21 110.244 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.706 ' CE1' HD21 ' A' ' 982' ' ' LEU . 67.2 t80 -75.82 -21.46 57.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.54 111.011 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.605 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 9.2 ptpt -64.67 -14.41 58.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 65.33 109.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.81 5.73 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.01 110.314 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.598 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 5.4 mt -113.91 -13.46 12.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 65.1 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.639 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -124.01 149.3 46.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.04 110.969 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.93 139.51 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 74.54 109.272 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -108.67 138.68 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.52 109.276 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.471 ' NE ' ' CD1' ' A' ' 961' ' ' ILE . 0.0 OUTLIER -113.28 147.68 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.2 110.324 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.32 104.9 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 71.25 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.934 HD22 ' HB3' ' A' ' 946' ' ' ALA . 10.4 t-20 -155.87 131.72 9.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 72.21 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -96.67 -9.21 29.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.42 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.934 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -61.7 -14.39 31.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 22.13 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.4 mm? -103.67 -76.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.45 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.55 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.4 pp0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 75.01 110.269 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tp60 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.255 -0.276 . . . . 75.52 110.255 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.55 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -106.0 158.22 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.32 109.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -103.98 -24.58 13.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 63.24 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.23 6.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 54.32 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -120.37 136.08 54.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 74.33 110.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.704 HG22 HG23 ' A' ' 941' ' ' VAL . 5.9 pt -96.54 134.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 72.02 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.799 HG22 ' HA ' ' A' ' 967' ' ' ALA . 33.7 pt -136.76 150.95 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.22 109.247 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.62 -174.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 72.04 108.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 4.2 mmmm -60.66 -52.03 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.41 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.77 -38.13 66.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 65.21 108.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 116.76 30.9 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 45.5 110.982 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 18.4 tp60 -87.02 127.91 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 65.04 110.282 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.799 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -58.02 94.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 73.04 109.365 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 5.3 m0 -69.81 -44.31 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.12 108.031 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 970' ' ' THR . . . 173.41 -116.45 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 64.12 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.472 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.9 OUTLIER -152.99 166.0 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 63.53 110.346 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.528 ' O ' HG23 ' A' ' 956' ' ' ILE . 21.1 tpp -112.84 102.35 10.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 64.41 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 26.3 mtp -84.84 159.54 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.03 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 955' ' ' GLN . 25.4 t -122.77 147.67 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 71.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.938 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -133.75 90.5 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 44.54 109.554 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 975' ' ' LYS . 3.3 mtmp? 60.92 23.9 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.03 109.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 973' ' ' VAL . . . 109.37 -3.78 31.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 62.31 110.978 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.732 HD23 ' N ' ' A' ' 978' ' ' ASP . 2.5 tt -79.01 167.34 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 72.54 109.306 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.732 ' N ' HD23 ' A' ' 977' ' ' LEU . 6.4 p-10 -115.12 118.9 34.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 73.03 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.938 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -131.28 96.21 22.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 70.13 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.429 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 113.75 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.54 111.045 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 981' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -96.25 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.2 108.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.706 HD21 ' CE1' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -97.78 157.7 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 71.44 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 8.2 mttt -118.5 122.33 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.39 -17.74 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 70.44 109.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.5 -12.28 61.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.23 110.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 70.3 m-20 -119.36 -4.26 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 62.21 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 23.0 m-85 -116.36 -176.05 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.4 111.04 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.1 t -139.16 158.28 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 62.23 109.292 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.41 119.18 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 72.31 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.561 ' CG2' ' HZ3' ' A' ' 997' ' ' LYS . 3.0 t -116.5 124.34 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.24 109.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.469 ' CD1' HG22 ' A' ' 903' ' ' ILE . 49.5 m-85 -82.28 137.56 34.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.41 110.977 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 72.1 109.311 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.561 ' HZ3' ' CG2' ' A' ' 990' ' ' VAL . 8.4 ttmm . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 70.12 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.82 146.12 30.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 61.22 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -124.17 110.52 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.23 110.333 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.477 ' HB2' HG21 ' A' ' 984' ' ' ILE . 93.2 m-85 -102.26 -169.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.44 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.54 ' CA ' HG22 ' A' ' 984' ' ' ILE . 15.3 pttp -125.84 -47.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.33 109.283 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.74 ' HB3' HG12 ' A' 1004 ' ' VAL . 32.3 mttt -121.17 157.88 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.45 109.267 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.605 ' HA ' HD12 ' A' ' 984' ' ' ILE . 27.6 m95 -69.83 -24.71 63.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 73.3 108.003 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.74 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.7 p -61.43 -24.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 65.31 109.235 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -74.14 -26.48 60.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.21 110.333 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.739 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.1 tp -60.27 110.86 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 73.32 109.293 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.04 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 74.41 111.009 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.585 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.43 139.78 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 73.13 109.26 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -75.26 158.58 32.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.24 110.407 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.739 ' CE1' HD23 ' A' 1006 ' ' LEU . 14.0 m-85 -137.96 166.29 27.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 55.43 111.0 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.308 -0.627 . . . . 73.42 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -125.14 124.11 25.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 73.15 109.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.546 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 0.99 8.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 63.52 110.995 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 27.4 t -86.36 -25.55 25.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 44.53 110.025 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -23.88 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.51 109.248 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.674 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.65 156.49 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.25 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.844 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.7 157.88 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.14 110.363 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.3 m-30 -100.24 140.25 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 72.53 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.92 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 75.03 109.3 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.414 ' HG ' ' CB ' ' A' ' 962' ' ' CYS . 49.9 t -88.84 126.34 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.998 -1.001 . . . . 52.22 110.893 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -55.68 -61.1 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 73.01 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -45.49 -57.34 4.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 109.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 911' ' ' SER . 77.9 m -99.96 -102.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.32 108.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.6 m 155.65 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 71.42 109.969 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.25 131.28 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.13 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.844 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -59.25 107.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 42.22 109.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -35.17 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 65.23 109.327 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.849 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.44 160.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 60.0 108.279 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 904' ' ' THR . 46.7 p -104.26 158.12 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 42.21 109.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -50.32 -51.92 29.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 54.41 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.41 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.8 pt-20 -60.42 -25.39 65.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 74.41 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.83 28.18 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 63.31 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.814 HD13 ' OD1' ' A' ' 930' ' ' ASN . 1.8 mm -133.18 148.87 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 75.02 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -118.77 156.95 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 63.13 109.611 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 64.3 109.268 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 71.21 109.293 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 920' ' ' ILE . 67.2 t30 -101.22 96.08 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 74.12 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 10.3 mtt -83.49 47.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 71.25 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.849 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.96 124.95 35.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 70.15 110.418 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 933' ' ' PRO . . . . . 0.462 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -74.99 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.445 1.76 . . . . 75.21 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.2 pt-20 -59.94 -27.18 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.42 110.26 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.918 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.5 t80 -70.19 -19.29 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 64.43 110.963 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 5.2 ptpt -65.68 -17.23 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 63.23 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.9 4.33 31.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 63.32 110.315 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.553 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 18.6 mt -109.0 -12.52 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.32 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.68 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.5 148.98 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.25 111.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.505 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.7 mt -125.47 135.94 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 65.3 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.68 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -98.35 127.5 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.22 109.272 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -105.66 121.55 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.13 110.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -42.85 104.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 60.51 110.341 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.655 HD22 ' HB3' ' A' ' 946' ' ' ALA . 17.0 t-20 -154.74 115.88 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.31 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -90.25 -7.48 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 63.14 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.655 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -66.43 -10.07 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 74.11 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.2 mm? -105.3 -59.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 70.24 109.286 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.52 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 51.11 110.272 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 973' ' ' VAL . 19.7 tp60 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.319 -0.252 . . . . 73.44 110.319 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.52 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -107.08 158.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 71.32 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.18 -24.71 13.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 65.22 109.312 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 163.15 -142.33 7.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 72.23 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 959' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 967' ' ' ALA . 7.3 tt0 -122.39 134.9 54.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 0.798 . . . . 64.14 110.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 939' ' ' TYR . 7.0 pt -95.34 130.09 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 55.53 109.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.7 pt -132.59 148.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 62.42 109.263 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -65.84 -174.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 60.31 108.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 940' ' ' ILE . 4.2 mmmm -59.48 -51.98 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 64.04 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.74 -38.02 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.31 108.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.03 32.55 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 73.33 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 968' ' ' TRP . 27.8 tp60 -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 65.12 110.235 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.793 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.34 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 61.31 109.254 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.702 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -66.33 -42.97 87.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 72.32 108.025 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 970' ' ' THR . . . 176.65 -117.33 0.59 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 62.2 110.983 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -154.84 161.73 41.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 71.04 110.399 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.1 tpp -105.45 94.78 5.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 44.43 111.014 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 10.1 mtp -81.89 155.24 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 73.22 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.8 t -127.64 148.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 74.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.57 102.09 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 74.23 109.628 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.22 22.59 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.52 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.84 1.7 49.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 53.2 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.868 ' O ' HG13 ' A' ' 973' ' ' VAL . 11.1 tp -79.38 166.64 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 72.14 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -114.95 115.48 26.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 63.34 109.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.25 96.58 11.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 74.22 109.269 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.418 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -75.01 120.21 5.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 70.41 111.034 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 981' ' ' CYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -97.8 112.75 24.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.3 108.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.918 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -99.93 145.54 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 53.4 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -107.75 126.63 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 73.04 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -58.71 -28.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 62.44 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.498 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.5 ptt-85 -64.6 -8.67 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 74.44 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 17.5 m120 -117.77 -3.35 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.14 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.702 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.5 m-85 -123.82 -176.27 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.42 111.049 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.79 162.33 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 71.04 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' 1006 ' ' LEU . 3.1 t -119.3 129.3 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 73.21 109.319 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 997' ' ' LYS . 0.9 OUTLIER -121.1 119.29 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 63.33 109.37 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 903' ' ' ILE . 72.6 m-85 -89.42 124.83 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 72.14 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 73.1 109.321 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.677 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.2 ttmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.278 -0.638 . . . . 75.51 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -107.68 163.99 12.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 64.21 109.317 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -128.82 108.92 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 70.2 110.36 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.471 ' CB ' HG21 ' A' ' 984' ' ' ILE . 87.9 m-85 -99.68 -173.21 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.32 111.013 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 39.1 pttt -125.12 -49.89 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 72.32 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.657 ' HB3' HG12 ' A' 1004 ' ' VAL . 53.9 mttt -118.54 158.91 24.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 73.33 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.664 ' HA ' HD12 ' A' ' 984' ' ' ILE . 33.8 m95 -70.06 -21.37 63.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.027 -1.101 . . . . 75.41 108.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.657 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.2 p -67.46 -26.12 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 60.05 109.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.11 110.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -71.48 113.96 24.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 75.25 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 51.11 110.986 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -91.13 131.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 63.44 109.279 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -65.54 157.92 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.44 110.395 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' 1006 ' ' LEU . 19.3 m-85 -134.66 161.39 63.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.23 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 74.54 111.015 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 26.0 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.309 -0.626 . . . . 73.44 109.309 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.73 126.31 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 74.55 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.553 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.5 Cg_endo -74.9 -0.3 9.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 54.42 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -83.04 -27.18 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.41 109.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.93 -23.68 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.41 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.02 155.54 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 61.34 109.297 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.11 160.01 42.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 64.05 110.381 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.4 m-30 -100.08 139.6 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 111.017 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.0 OUTLIER -134.0 176.47 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 75.21 109.341 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.491 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 52.9 t -91.71 122.1 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 74.52 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -53.14 -58.47 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.42 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -47.37 -58.42 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 72.03 109.324 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -98.45 -100.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 45.23 108.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.7 OUTLIER 153.55 42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 55.22 110.004 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.54 135.24 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 52.33 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 106.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 63.42 109.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.41 -34.8 18.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 35.2 109.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 915' ' ' CYS . . . . . 0.998 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.87 161.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 53.23 108.266 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.652 ' CB ' HG23 ' A' ' 904' ' ' THR . 6.0 t -106.24 161.64 14.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.52 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -55.15 -50.12 60.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 53.3 110.974 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -58.31 -23.49 56.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 62.31 110.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.2 27.87 3.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.12 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -132.94 156.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.5 -179.31 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 53.3 109.635 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 922' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' 1010 ' ' PHE . 40.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 63.13 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.276 -0.639 . . . . 74.2 109.276 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -94.29 95.73 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 51.03 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.7 mmt -83.49 47.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 61.03 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.998 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 122.3 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 51.23 110.389 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.73 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 63.23 111.015 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.88 -33.84 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.03 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 938' ' ' LEU . 73.8 t80 -60.05 -20.42 57.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 71.31 111.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 8.3 ptpt -66.04 -14.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 54.53 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -105.01 4.57 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 74.34 110.258 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.3 mt -109.68 -20.32 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 63.24 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.749 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -118.27 151.01 38.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 70.44 111.006 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.62 136.21 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 73.1 109.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.749 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -94.08 131.86 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 71.12 109.327 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.721 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -110.04 119.69 40.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 64.21 110.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.87 104.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.4 110.274 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.947 HD22 ' HB3' ' A' ' 946' ' ' ALA . 9.4 t-20 -156.28 115.4 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.41 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -86.61 -8.75 57.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 75.2 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.947 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.25 -14.44 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 63.51 109.299 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -104.67 -60.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 62.13 109.255 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.499 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 72.44 110.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 973' ' ' VAL . 36.6 tp60 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.267 -0.271 . . . . 75.44 110.267 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.18 157.6 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 72.15 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -101.55 -25.88 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.1 109.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.54 -138.26 5.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 73.52 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.97 130.64 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 72.42 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.494 HG22 ' CE1' ' A' ' 939' ' ' TYR . 13.1 pt -88.02 129.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.54 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.826 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -132.45 144.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.43 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.39 -175.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 60.32 108.284 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -61.76 -51.14 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 63.12 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.45 -35.2 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 64.14 108.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 113.47 37.17 1.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 51.33 110.967 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.0 tp60 -96.56 121.43 38.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 64.34 110.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.8 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 63.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.0 m0 -69.38 -36.8 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 74.01 107.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 171.4 -126.6 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 74.12 111.0 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.82 150.48 34.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 72.15 110.37 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 956' ' ' ILE . 22.4 tpp -97.04 95.94 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 63.12 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 17.5 mtp -81.92 153.39 26.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 72.53 111.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -132.06 138.98 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.44 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -126.39 100.32 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 71.15 109.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 2.2 mtmp? 60.28 22.56 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.52 109.322 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.33 37.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 73.45 110.968 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.897 ' O ' HG13 ' A' ' 973' ' ' VAL . 15.4 tp -79.8 166.54 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 63.44 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -121.36 105.6 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 61.41 109.256 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 977' ' ' LEU . 0.2 OUTLIER -133.07 96.81 17.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.21 109.296 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 75.21 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.06 106.52 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.22 108.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -89.01 165.67 14.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 54.15 109.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -125.31 121.88 35.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 70.2 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.41 -17.21 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.42 109.351 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.14 -11.84 60.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 51.14 110.305 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 26.2 m120 -118.45 -2.97 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 74.05 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 25.6 m-85 -118.15 -176.66 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.1 111.037 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.1 t -138.97 158.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.25 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.422 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -122.73 119.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.51 109.238 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -114.92 122.31 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 72.45 109.276 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 903' ' ' ILE . 42.1 m-85 -83.46 135.64 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.32 111.017 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.41 109.296 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 997' ' ' LYS . . . . . 0.498 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.3 ttpp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 72.51 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.35 129.19 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.41 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -106.81 111.23 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 73.44 110.356 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.5 m-85 -101.79 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.45 111.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.514 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.5 pttt -128.86 -46.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 64.23 109.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.486 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.1 OUTLIER -120.37 156.97 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 52.34 109.316 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.641 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.3 m95 -68.56 -25.13 64.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 74.43 107.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -63.02 -31.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.34 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.24 -21.84 65.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.22 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.34 113.76 22.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 52.11 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 63.04 110.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.79 132.54 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 75.21 109.313 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -73.89 139.7 45.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 71.4 110.389 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' 1006 ' ' LEU . 15.6 m-85 -110.31 165.9 11.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 71.01 111.018 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 64.11 110.965 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 898' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.8 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.284 -0.635 . . . . 51.44 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -106.49 127.0 29.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 71.23 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 900' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.04 0.34 9.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 71.11 111.023 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.6 t -84.57 -25.43 28.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 71.33 109.993 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -22.96 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 63.45 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 903' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -102.29 150.63 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.29 162.51 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 51.41 110.415 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.7 m-30 -99.06 140.86 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.3 110.964 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.612 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.8 OUTLIER -134.55 171.77 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 74.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 907' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 52.6 t -89.79 119.47 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.98 -1.009 . . . . 53.14 110.892 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -50.75 -56.5 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.3 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.01 -58.72 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 72.41 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 910' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 911' ' ' SER . 76.0 m -99.71 -102.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 45.53 108.238 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 911' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.9 t 157.71 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 65.45 110.013 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.27 134.76 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 74.4 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.62 107.82 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 74.32 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 914' ' ' ALA . . . . . 0.464 ' HB3' ' HE2' ' A' ' 987' ' ' PHE . . . -87.24 -35.61 18.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.22 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.97 163.87 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 51.3 108.304 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.614 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 75.14 110.022 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.33 -47.89 66.62 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.442 1.089 . . . . 54.43 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -60.51 -22.68 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 74.43 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.63 31.1 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 43.22 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 920' ' ' ILE . . . . . 0.77 HD13 ' OD1' ' A' ' 930' ' ' ASN . 3.1 mm -133.5 155.75 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.42 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -118.06 164.08 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 74.45 109.582 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 922' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' 1010 ' ' PHE . 4.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.13 109.301 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 72.42 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 930' ' ' ASN . . . . . 0.77 ' OD1' HD13 ' A' ' 920' ' ' ILE . 60.0 t30 -105.12 95.96 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 72.01 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.89 47.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 62.11 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 932' ' ' THR . . . . . 0.639 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -106.39 125.13 33.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 61.54 110.391 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.28 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 65.41 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 934' ' ' GLU . . . . . 0.639 ' HG2' HG22 ' A' ' 932' ' ' THR . 4.5 pt-20 -56.41 -27.29 56.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.33 110.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 935' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 982' ' ' LEU . 33.2 t80 -65.01 -24.67 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.23 111.01 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.549 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.6 ptpt -63.8 -15.74 59.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 71.02 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -105.12 2.4 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.53 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.425 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.6 mt -111.17 -20.33 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.01 109.279 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.32 150.21 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 62.22 110.977 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 940' ' ' ILE . . . . . 0.671 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.04 137.1 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 64.02 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 941' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -96.27 134.62 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 73.13 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.638 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -110.58 122.41 47.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 64.43 110.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -49.72 104.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 53.24 110.262 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 944' ' ' ASN . . . . . 0.972 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.0 t-20 -153.4 130.34 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 65.11 109.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.408 ' CB ' ' NZ ' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -96.65 -7.91 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.2 109.26 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 946' ' ' ALA . . . . . 0.972 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.11 -13.66 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 64.3 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 947' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.8 mm? -103.39 -77.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 73.4 109.251 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 948' ' ' GLN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.3 pp0? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 64.35 110.293 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 955' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 973' ' ' VAL . 15.5 tm0? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.334 -0.247 . . . . 75.31 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 956' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -118.33 155.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 65.41 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 1.9 m120 -99.71 -26.58 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 72.31 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.61 -137.77 5.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 41.52 111.046 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -125.51 129.82 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 61.44 110.323 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 960' ' ' ILE . . . . . 0.474 ' CD1' ' CD1' ' A' ' 982' ' ' LEU . 5.8 pt -86.48 136.74 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 71.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 961' ' ' ILE . . . . . 0.788 HG22 ' HA ' ' A' ' 967' ' ' ALA . 22.6 pt -137.16 145.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 61.42 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.3 p -62.04 -174.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 70.25 108.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 963' ' ' LYS . . . . . 0.671 ' HE2' HD11 ' A' ' 940' ' ' ILE . 2.3 mmmm -59.11 -51.63 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 72.11 109.324 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.77 -40.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.12 108.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 119.23 31.88 1.34 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.553 1.158 . . . . 73.34 110.973 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 20.7 tp60 -90.2 121.74 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 54.3 110.335 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 967' ' ' ALA . . . . . 0.788 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.63 98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 54.34 109.324 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 968' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 3.9 m0 -73.73 -36.89 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 71.1 108.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 969' ' ' GLY . . . . . 0.683 ' C ' ' HZ1' ' A' ' 983' ' ' LYS . . . 174.28 -126.94 1.25 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 61.31 110.991 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 970' ' ' THR . . . . . 0.568 HG23 ' NZ ' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -146.68 152.88 39.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 64.1 110.42 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 971' ' ' MET . . . . . 0.558 ' O ' HG23 ' A' ' 956' ' ' ILE . 18.3 tpp -97.39 92.54 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.14 111.022 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.2 mtp -81.82 149.19 28.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.43 111.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 6.4 t -123.2 150.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 70.14 109.291 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 974' ' ' HIS . . . . . 0.46 ' HB3' HD11 ' A' ' 979' ' ' LEU . 3.5 t-80 -140.1 101.53 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 73.51 109.641 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 975' ' ' LYS . . . . . 0.444 ' HB2' ' HZ2' ' A' ' 975' ' ' LYS . 5.2 mtmp? 60.65 24.66 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 64.54 109.298 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.13 -0.21 56.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 33.21 110.975 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 0.8 OUTLIER -79.35 164.13 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 71.24 109.276 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 978' ' ' ASP . . . . . 0.788 ' N ' HD13 ' A' ' 977' ' ' LEU . 1.0 OUTLIER -112.68 119.78 39.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 62.23 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 979' ' ' LEU . 0.0 OUTLIER -140.21 96.41 8.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.12 109.276 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.96 8.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 75.33 111.05 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.07 103.79 13.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.44 108.272 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 982' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 935' ' ' PHE . 0.4 OUTLIER -76.9 164.64 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 74.23 109.313 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 983' ' ' LYS . . . . . 0.683 ' HZ1' ' C ' ' A' ' 969' ' ' GLY . 24.0 mttt -129.65 117.21 20.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 65.01 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 984' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.5 mt -58.12 -23.3 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 54.32 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.1 OUTLIER -69.97 -5.94 29.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.32 110.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 986' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 16.0 m120 -128.13 2.42 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 74.31 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 16.7 m-85 -123.0 -175.87 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 70.21 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 159.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.34 109.297 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 989' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.89 119.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 60.22 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 990' ' ' VAL . . . . . 0.612 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -117.84 119.87 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.14 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 991' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -81.69 136.93 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.42 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 53.12 109.322 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.236 -0.653 . . . . 62.12 109.236 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.02 159.44 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 72.13 109.269 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -134.64 108.08 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 61.45 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1000 ' ' TYR . . . . . 0.513 ' CD1' HG21 ' A' ' 989' ' ' VAL . 39.8 m-85 -95.79 -176.11 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 72.11 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1001 ' ' LYS . . . . . 0.508 ' CA ' HG22 ' A' ' 984' ' ' ILE . 1.7 pttm -120.23 -49.16 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 70.43 109.245 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1002 ' ' LYS . . . . . 0.514 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -119.29 158.83 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.41 109.312 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1003 ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 984' ' ' ILE . 56.3 m95 -70.75 -18.77 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.34 107.968 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1004 ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -70.53 -30.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.21 109.284 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -66.34 -23.92 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 65.4 110.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' 1006 ' ' LEU . 7.5 tp -68.3 113.07 13.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 72.13 109.293 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1007 ' ' PRO . . . . . 0.486 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.01 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 65.54 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1008 ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.61 131.51 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 75.52 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -72.78 153.96 40.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.33 110.376 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1010 ' ' PHE . . . . . 0.449 ' HE1' HD23 ' A' 1006 ' ' LEU . 9.3 m-85 -128.11 165.99 26.97 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 75.53 111.023 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 74.03 110.975 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 891' ' ' GLY . . . . . 0.518 ' C ' HD22 ' A' ' 893' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.964 -0.855 . . . . 63.41 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.532 ' N ' HD22 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.99 -69.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 70.53 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 892' ' ' PRO . 0.3 OUTLIER 48.72 50.0 17.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.23 109.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -109.93 -178.34 21.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.153 . . . . 50.43 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 37.8 t -118.16 -73.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 70.03 110.033 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.477 ' O ' ' ND2' ' A' ' 993' ' ' ASN . 10.2 m-85 -118.27 160.06 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 73.53 111.028 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.713 ' HZ3' ' HE1' ' A' ' 991' ' ' PHE . 4.9 ttpp -134.45 13.1 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 52.01 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 28.1 t-20 -92.25 21.43 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 74.4 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -106.65 126.91 29.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.02 109.286 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.56 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.99 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 62.53 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.8 t -83.9 -25.83 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.41 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.616 HD13 ' OD1' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -89.01 -23.6 22.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 72.33 109.311 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.563 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -99.66 156.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.24 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.845 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.91 160.0 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 62.51 110.391 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.85 139.94 34.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 72.13 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.1 mt -134.18 175.89 9.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.24 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -91.33 121.7 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.948 -1.024 . . . . 63.02 110.949 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -52.61 -59.87 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 74.14 109.297 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -45.86 -58.41 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.44 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.14 -101.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 62.22 108.27 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.56 42.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 75.15 109.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.73 134.37 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 53.22 109.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.845 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.98 106.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 42.55 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.15 -35.52 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 70.32 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.83 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.12 168.96 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 64.42 108.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.423 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.1 m -108.7 158.45 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 54.1 110.015 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.55 88.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 64.13 110.958 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.3 pt-20 -65.29 -24.49 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 72.15 110.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -93.06 30.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.52 109.29 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.37 152.34 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 72.34 109.355 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.884 ' CE1' HD12 ' A' 1013 ' ' LEU . 14.4 m80 -118.95 156.65 29.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 71.42 109.613 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.0 t -118.13 153.45 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 72.23 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' 1013 ' ' LEU . 13.4 mm -126.1 107.47 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.33 109.288 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.29 21.47 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 75.23 110.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.426 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 1.0 OUTLIER 51.06 24.41 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 75.23 109.301 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.407 ' HE3' ' HB3' ' A' ' 926' ' ' MET . 7.7 ptp -119.03 -35.14 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 72.11 111.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 927' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -121.89 134.47 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 75.5 109.59 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.54 ' CD2' ' CD1' ' A' 1003 ' ' TRP . 0.8 OUTLIER -101.52 109.08 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 55.44 109.587 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 923' ' ' ILE . 3.4 m -116.08 133.23 63.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 73.44 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 4.6 t-20 -97.49 96.74 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 63.52 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 57.1 mmm -83.27 46.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 52.03 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.83 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.4 OUTLIER -106.29 121.27 45.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 74.13 110.422 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 73.13 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -59.97 -29.09 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 63.41 110.29 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 70.6 t80 -66.4 -21.55 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.42 110.965 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.584 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.94 -15.23 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.31 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.17 6.06 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 75.34 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 935' ' ' PHE . 7.5 mt -112.27 -13.36 13.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.42 109.269 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.671 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.64 150.39 48.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.35 111.002 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.702 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -126.65 137.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 51.12 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.671 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.69 134.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 75.24 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.847 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -108.42 142.08 39.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 61.32 110.309 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -66.18 104.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 71.51 110.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.975 HD22 ' HB3' ' A' ' 946' ' ' ALA . 10.4 t-20 -155.26 131.24 10.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.12 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -96.59 -8.69 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.44 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.975 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.37 -13.9 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 52.41 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.7 mm? -104.13 -76.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.42 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -58.15 161.54 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 75.22 110.347 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 0.2 OUTLIER -146.87 151.27 36.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.33 109.326 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.75 -75.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 70.02 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.88 95.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 62.43 108.246 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -176.27 -177.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 73.13 109.29 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.43 -26.45 9.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 74.15 109.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -109.77 94.21 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 55.22 111.024 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.485 HE22 ' NE2' ' A' ' 948' ' ' GLN . 35.8 tp60 -67.62 129.92 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.03 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 971' ' ' MET . 1.3 mm -111.95 156.63 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 72.35 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -95.69 -27.82 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.42 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.43 -137.88 5.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 71.12 110.995 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.04 122.19 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 72.11 110.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.539 HG22 HG23 ' A' ' 941' ' ' VAL . 5.6 pt -78.44 136.39 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 70.44 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.847 HD11 ' HD3' ' A' ' 942' ' ' ARG . 30.7 pt -138.12 144.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.24 109.332 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -62.88 -174.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 72.31 108.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.702 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.31 -51.53 69.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 61.35 109.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.3 m -56.11 -40.32 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.41 108.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 120.12 35.69 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 64.45 111.033 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 32.3 tp60 -94.28 116.82 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 53.4 110.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.44 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 41.2 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -71.76 -28.72 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.52 107.99 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.557 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.59 -117.45 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 74.15 110.995 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -155.97 156.06 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 63.54 110.417 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 956' ' ' ILE . 17.3 tpp -101.83 97.51 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 72.42 111.012 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 23.6 mtp -82.09 145.4 30.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 65.42 110.99 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 2.7 t -126.62 144.96 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.23 109.281 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.594 ' CD2' ' OH ' ' A' 1015 ' ' TYR . 2.1 t-80 -133.86 98.61 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 73.22 109.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 1.8 mttp 60.75 20.16 10.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.02 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.58 8.52 28.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 73.21 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.4 tp -79.41 164.85 23.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 72.51 109.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -122.54 106.83 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 54.13 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -133.73 96.64 16.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.31 109.266 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.476 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -75.01 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 60.45 111.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.29 105.61 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 71.44 108.34 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.98 166.01 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 72.3 109.281 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -129.53 122.2 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 73.05 109.279 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -58.9 -19.31 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.33 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.85 -6.52 42.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 73.23 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 20.1 m120 -124.21 -1.12 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 72.34 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.8 m-85 -121.63 -176.54 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 72.34 111.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 988' ' ' VAL . . . . . 0.502 HG11 ' NZ ' ' A' ' 997' ' ' LYS . 11.2 t -138.54 160.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 63.14 109.257 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.532 HG11 HD11 ' A' 1006 ' ' LEU . 2.8 t -123.71 119.8 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.4 109.275 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -113.9 122.41 67.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 51.22 109.26 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.713 ' HE1' ' HZ3' ' A' ' 897' ' ' LYS . 59.2 m-85 -84.75 135.88 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.2 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -85.94 -43.7 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 72.11 109.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.616 ' OD1' HD13 ' A' ' 902' ' ' LEU . 3.3 m-20 -40.75 -53.44 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 55.41 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 994' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 994' ' ' ASN . 0.5 OUTLIER -125.98 145.3 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.14 109.34 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 995' ' ' SER . . . . . 0.401 ' C ' ' OG1' ' A' ' 996' ' ' THR . 28.5 m -69.97 90.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 72.41 110.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.449 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 7.3 m -156.31 162.96 40.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 74.11 110.379 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.502 ' NZ ' HG11 ' A' ' 988' ' ' VAL . 9.0 ttmm -133.88 117.05 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 64.51 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.449 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.72 131.84 53.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 65.35 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.98 111.37 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.54 110.289 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 94.9 m-85 -102.88 -170.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.51 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 48.9 pttt -128.01 -46.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.13 109.354 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.671 ' HB3' HG12 ' A' 1004 ' ' VAL . 35.7 mttt -120.7 156.03 32.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 74.41 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.704 ' HA ' HD12 ' A' ' 984' ' ' ILE . 26.3 m95 -67.6 -24.79 65.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.22 108.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.671 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -62.78 -29.8 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.34 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.98 -21.39 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.31 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CZ ' ' A' 1010 ' ' PHE . 6.5 tp -68.24 113.16 13.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.22 109.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.02 -1.51 11.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 61.31 110.977 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.2 132.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.24 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.9 m -76.37 137.68 39.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 75.02 110.39 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' A' 1006 ' ' LEU . 4.1 m-85 -112.23 165.52 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 74.24 111.031 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.04 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 73.32 110.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -147.42 104.57 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.02 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.884 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -120.03 117.74 28.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 41.14 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' 1017 ' ' GLU . 24.2 m-20 -99.83 103.51 15.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 64.3 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' 1016 ' ' SER . 0.4 OUTLIER -53.75 -39.5 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.42 110.959 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.652 ' N ' ' CD1' ' A' 1015 ' ' TYR . 3.1 t -50.47 -24.16 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 73.03 110.0 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' 1014 ' ' ASP . 5.0 mm-40 -38.95 -47.55 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 72.32 110.305 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1018 ' ' CYS . . . . . 0.517 ' HB2' HD22 ' A' 1020 ' ' LEU . 19.4 p -93.51 121.8 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 71.34 108.263 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 8.7 t -122.6 21.84 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.14 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -74.21 -69.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 75.24 109.277 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -38.0 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 70.11 111.012 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' 1020 ' ' LEU . 46.8 t -40.8 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 61.42 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -120.28 -41.87 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 75.14 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.45 171.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.32 110.325 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 62.0 109.299 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.975 -0.85 . . . . 70.14 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.496 ' O ' HD23 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.96 139.34 24.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 70.53 111.045 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 892' ' ' PRO . 5.8 mt -113.22 -174.81 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 71.34 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 175.86 176.64 44.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 64.45 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 1.2 t -98.17 46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 72.13 110.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -129.81 53.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.41 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -131.94 9.77 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 75.33 109.293 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -91.1 45.11 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 70.51 109.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -126.56 122.7 23.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 73.1 109.273 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.543 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 34.34 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 6.9 t -84.57 -23.91 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.12 109.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.576 HD13 ' OD1' ' A' ' 993' ' ' ASN . 1.4 mt -88.87 -26.42 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 73.41 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.604 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.6 OUTLIER -96.26 150.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 71.3 109.329 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.839 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.65 160.85 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.34 110.389 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.571 ' O ' HD23 ' A' ' 906' ' ' LEU . 8.6 m-30 -100.61 141.89 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 43.35 110.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.1 mt -135.92 175.27 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.34 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -90.56 121.53 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.012 -0.995 . . . . 72.11 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -51.96 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.1 109.31 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.23 -57.9 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 65.23 109.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -99.9 -101.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 65.42 108.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.5 t 155.83 42.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 53.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.05 132.68 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 51.31 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.68 107.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 64.32 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.413 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.17 -35.11 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 55.44 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.975 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.41 170.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 64.34 108.332 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 10.8 t -100.62 163.3 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 72.21 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 917' ' ' GLY . . . . . 0.531 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -69.64 -29.18 71.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 65.45 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 14.4 pt-20 -83.77 -19.59 34.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 73.2 110.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.32 22.6 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.01 109.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -120.25 156.85 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 63.41 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.871 ' ND1' HD12 ' A' 1013 ' ' LEU . 8.8 m170 -117.19 157.86 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 74.13 109.616 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 4.1 t -123.81 148.86 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 75.24 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.794 HD11 ' CE1' ' A' 1015 ' ' TYR . 1.4 mm -125.01 113.86 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.41 109.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 926' ' ' MET . 30.5 mt-10 50.37 27.92 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.53 110.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.3 mptt 43.05 28.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 74.51 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 924' ' ' GLU . 18.2 ptm -121.16 -37.56 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 74.24 110.938 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.409 ' N ' ' CG ' ' A' ' 926' ' ' MET . 24.3 m170 -127.49 113.45 16.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 74.34 109.627 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -89.23 106.71 18.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.23 109.575 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 10.0 m -105.48 142.2 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 64.11 109.296 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -96.75 95.94 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 44.23 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.1 mmm -84.19 46.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.43 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.975 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -104.63 122.47 43.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 75.1 110.372 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 73.31 111.013 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.565 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -59.47 -28.55 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 73.43 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 83.9 t80 -69.0 -18.75 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 65.54 110.988 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.22 -17.61 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 65.33 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.93 4.48 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 61.34 110.321 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.554 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.1 mt -108.58 -11.85 15.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 63.11 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.95 149.95 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.03 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.85 137.54 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.54 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.32 136.99 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 73.52 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -113.69 138.93 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 70.31 110.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.3 104.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 75.01 110.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.939 HD22 ' HB3' ' A' ' 946' ' ' ALA . 8.5 t-20 -157.46 117.33 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 52.42 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -86.7 -9.16 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.12 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.939 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -61.47 -14.87 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.32 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -105.91 -59.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 72.23 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.502 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER -77.55 146.58 36.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 73.35 110.248 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 949' ' ' LYS . 10.5 mtpm? -136.29 178.82 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 71.14 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 952' ' ' ALA . 10.3 mptt -100.76 -79.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 63.33 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.81 95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 74.22 108.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.07 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 74.05 109.266 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -110.74 -26.05 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.43 109.336 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -110.2 94.94 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.13 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.448 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.3 tp60 -67.18 130.7 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.04 110.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.06 158.33 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 60.1 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -101.76 -25.46 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.5 109.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.29 -137.09 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 41.02 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.63 131.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 75.41 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.7 pt -86.41 131.96 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 74.51 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.708 HG22 ' HA ' ' A' ' 967' ' ' ALA . 24.6 pt -133.98 142.85 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.0 OUTLIER -61.9 -174.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 34.04 108.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.792 ' HZ3' ' HA ' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.93 -51.58 69.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 72.11 109.327 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.76 -39.24 70.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 75.32 108.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.17 37.33 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 61.4 111.008 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.1 tp60 -96.72 118.21 32.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 73.14 110.3 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.708 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.03 99.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 51.44 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.554 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 6.3 m0 -72.25 -31.1 65.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 75.3 108.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.99 -123.45 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 63.42 111.015 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.3 149.58 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 74.44 110.464 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 956' ' ' ILE . 24.8 tpp -97.25 93.22 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 73.22 110.993 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 972' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 25.6 mtp -81.92 147.89 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 54.45 110.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.2 t -123.77 145.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.42 109.278 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.571 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.9 t-80 -134.18 100.41 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.12 109.539 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.519 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 18.8 mttm 61.02 20.94 11.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.12 109.287 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.7 37.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 64.23 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 8.4 tp -79.48 166.38 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.32 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -122.57 100.89 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 70.15 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.716 HD22 ' OH ' ' A' 1015 ' ' TYR . 0.1 OUTLIER -124.49 96.5 41.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.32 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 71.42 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 105.13 17.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 64.44 108.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -86.03 167.45 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 70.24 109.285 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -128.38 122.54 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 75.24 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -60.22 -17.91 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.54 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.47 -11.68 60.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.5 110.265 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 27.2 m120 -118.48 -6.28 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.01 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.4 m-85 -114.83 -177.87 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 74.42 111.02 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.8 t -140.46 156.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 65.54 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -121.12 119.47 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 72.5 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -115.71 124.26 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.01 109.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.604 ' CD1' HG22 ' A' ' 903' ' ' ILE . 60.9 m-85 -84.83 136.5 33.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 70.14 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.82 -43.92 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 72.11 109.316 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.576 ' OD1' HD13 ' A' ' 902' ' ' LEU . 3.3 m-20 -40.74 -54.1 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 72.14 109.327 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -125.01 138.65 54.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 73.44 109.275 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 33.2 m -64.58 91.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 71.33 109.989 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 8.0 m -153.52 163.25 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 62.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.433 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.3 ttmt -133.72 113.73 12.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.44 109.309 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.52 138.66 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.2 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -119.31 112.78 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 73.2 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 97.1 m-85 -105.46 -170.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 74.11 111.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.576 ' CA ' HG22 ' A' ' 984' ' ' ILE . 21.2 pttt -129.34 -45.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.45 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.637 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.9 mmtp -117.14 150.31 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 75.13 109.271 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.77 ' HA ' HD12 ' A' ' 984' ' ' ILE . 43.3 m95 -64.88 -36.96 86.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.33 108.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.637 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.7 OUTLIER -49.58 -28.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 75.01 109.323 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.23 110.349 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.901 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -50.24 110.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 72.5 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.1 9.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 73.4 111.025 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -92.7 134.3 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.41 109.297 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -70.16 150.79 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 63.41 110.377 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.901 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.1 m-85 -126.3 165.61 26.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 61.2 111.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.7 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 65.32 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -149.21 108.53 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 75.33 109.284 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.871 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.88 122.56 41.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 65.14 109.283 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.563 ' HA ' HD13 ' A' ' 923' ' ' ILE . 7.9 t70 -107.89 165.05 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.33 109.279 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.794 ' CE1' HD11 ' A' ' 923' ' ' ILE . 9.6 m-30 -89.09 -42.84 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 64.5 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.445 ' CB ' ' OD1' ' A' 1014 ' ' ASP . 1.0 OUTLIER -44.54 -26.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 62.13 109.986 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' 1015 ' ' TYR . 25.9 mt-10 -38.72 -52.87 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.31 110.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1018 ' ' CYS . . . . . 0.525 ' CB ' HD23 ' A' 1020 ' ' LEU . 3.4 m -98.85 167.6 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 41.25 108.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 90.6 m -124.5 52.51 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.43 108.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' 1020 ' ' LEU . 0.3 OUTLIER -84.07 -40.15 18.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.12 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 977' ' ' LEU . 12.0 m-85 -65.33 -9.96 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 72.43 111.01 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.15 46.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 75.11 109.973 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -98.2 -28.86 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 61.24 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.29 170.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 65.42 110.322 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 63.13 109.324 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 52.22 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.503 ' O ' HD23 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.0 134.95 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 70.12 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 892' ' ' PRO . 6.1 mt -113.28 -175.64 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.43 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 164.01 146.72 4.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 72.11 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.91 -176.53 2.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 73.4 110.02 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.497 ' O ' ' ND2' ' A' ' 993' ' ' ASN . 48.7 m-85 -52.1 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 72.14 111.017 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -174.14 176.9 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 45.44 109.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 6.5 t-20 67.82 26.8 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.45 109.326 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.85 127.31 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 61.43 109.317 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.03 0.27 9.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.517 1.798 . . . . 35.23 111.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 11.7 t -84.09 -27.28 28.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.34 109.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.482 HD13 ' OD1' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -86.36 -23.34 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 72.23 109.335 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.81 154.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 63.13 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.835 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.36 159.07 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.53 110.422 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.8 m-30 -100.21 138.32 37.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.43 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 913' ' ' LEU . 1.0 OUTLIER -132.47 177.34 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 74.44 109.352 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -90.71 125.26 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.993 -1.003 . . . . 74.45 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -55.33 -59.4 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.41 109.306 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -46.35 -57.96 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.3 109.331 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.1 m -98.87 -101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 74.12 108.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.6 OUTLIER 154.08 42.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 72.44 110.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 136.99 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 73.53 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.88 106.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.14 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.408 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.26 -34.93 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 70.33 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.411 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.7 p -176.31 161.52 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 42.14 108.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.695 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.58 158.44 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 70.14 109.984 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.46 -46.85 57.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 55.32 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -60.89 -28.97 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 53.41 110.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -93.98 31.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 54.22 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.718 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.56 145.0 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 71.31 109.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.699 ' CG ' HD12 ' A' 1013 ' ' LEU . 94.8 m-70 -109.12 175.45 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.21 109.623 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 7.7 t -136.88 157.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 71.04 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 923' ' ' ILE . 5.4 mm -134.26 116.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 72.23 109.258 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.51 24.95 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 63.41 110.307 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.414 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 1.9 mptt 46.5 27.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 72.53 109.265 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 926' ' ' MET . 7.2 ptp -121.82 -38.23 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.24 110.973 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.429 ' N ' ' CG ' ' A' ' 926' ' ' MET . 5.8 m170 -118.69 132.81 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 72.24 109.643 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.518 ' CE1' ' CD2' ' A' 1010 ' ' PHE . 0.1 OUTLIER -104.88 101.73 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.44 109.592 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.518 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.5 m -105.68 145.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 60.11 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.718 ' OD1' HD13 ' A' ' 920' ' ' ILE . 62.7 t30 -102.57 96.02 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 71.12 109.315 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 931' ' ' MET . . . . . 0.433 ' HB2' ' CD2' ' A' ' 921' ' ' HIS . 5.8 mtt -82.5 47.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 75.13 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -107.77 127.01 28.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 63.42 110.412 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 74.54 111.027 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.64 ' HG2' HG22 ' A' ' 932' ' ' THR . 11.4 pt-20 -55.37 -32.79 62.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.34 110.311 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 53.7 t80 -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.51 110.965 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.7 ptpt -63.83 -16.12 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 65.01 109.28 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.1 3.24 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 54.22 110.258 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.532 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -112.27 -18.2 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 72.23 109.284 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.665 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.56 149.64 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 64.3 110.966 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.09 137.13 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.01 109.339 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.665 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -99.68 131.36 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 54.45 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.614 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -106.23 121.22 43.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.33 110.316 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -46.56 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.43 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.974 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.3 t-20 -158.14 129.56 6.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.43 109.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -96.5 -7.27 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.44 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.974 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.23 -13.15 47.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 43.01 109.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.87 -58.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.12 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.53 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER -78.85 146.34 33.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 72.23 110.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -134.1 179.49 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 72.14 109.275 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 952' ' ' ALA . 1.6 mptp? -97.17 -78.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.42 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.29 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 54.33 108.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.27 -178.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 71.41 109.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.96 -26.92 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 54.53 109.266 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -114.33 97.04 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 71.25 111.013 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.6 tm0? -67.09 130.84 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 72.52 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.53 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -103.96 159.45 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 72.44 109.259 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 957' ' ' ASN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 2.2 m-20 -101.99 -25.88 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 71.15 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.72 -137.79 5.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 64.15 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -125.61 129.23 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 70.31 110.246 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.423 HG22 HG23 ' A' ' 941' ' ' VAL . 20.5 pt -89.08 130.41 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 72.1 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.816 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.6 pt -130.82 149.35 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 60.24 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.65 -174.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.21 108.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.6 mmmm -61.32 -51.74 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 54.1 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.0 m -55.34 -36.01 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 42.43 108.292 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.13 35.57 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 74.22 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.4 tp60 -92.94 123.51 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 55.52 110.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.816 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.43 95.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 70.22 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.7 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -69.8 -42.56 73.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.54 107.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.466 ' CA ' ' HD3' ' A' ' 983' ' ' LYS . . . 174.34 -123.68 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 73.43 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 2.9 p -146.06 170.07 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 74.03 110.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.48 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -116.08 96.75 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.22 110.998 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 972' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 7.7 mtp -82.04 154.42 25.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 64.41 110.988 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -126.35 148.6 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 52.15 109.278 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.692 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 2.3 t-80 -139.63 102.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 74.02 109.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 7.6 mttp 61.54 24.01 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.31 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.21 2.35 55.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 64.04 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.86 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.41 166.93 21.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 75.45 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.714 ' N ' HD23 ' A' ' 977' ' ' LEU . 99.0 m-20 -116.4 118.0 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.14 109.328 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.565 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 0.2 OUTLIER -135.54 96.46 13.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 72.11 109.338 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.01 116.63 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 73.52 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 981' ' ' CYS . . . . . 0.548 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.6 m -95.43 114.59 26.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 70.51 108.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -100.6 146.07 27.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 61.41 109.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -108.75 125.26 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.31 109.28 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.563 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.5 mt -58.76 -25.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.43 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.3 ptp180 -67.05 -7.54 23.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 71.51 110.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 13.9 m120 -120.16 -3.37 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.22 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.7 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.6 m-85 -122.84 -175.74 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.25 111.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.3 t -139.89 160.09 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 71.41 109.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.66 123.23 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 71.43 109.273 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -117.43 119.34 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.12 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 903' ' ' ILE . 40.1 m-85 -80.38 135.2 36.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.15 111.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.31 -40.06 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 44.33 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 896' ' ' TYR . 3.3 m-20 -40.78 -55.55 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 65.33 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -128.43 153.32 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 73.14 109.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 3.8 p -71.5 90.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.01 109.963 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.515 HG21 ' HE3' ' A' ' 998' ' ' LYS . 4.2 m -154.82 159.81 40.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 41.23 110.404 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.519 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.0 ttpp -133.66 116.78 16.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 71.35 109.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 996' ' ' THR . 1.1 mptm? -107.0 129.0 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 74.23 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -106.92 109.64 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.42 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.461 ' CB ' HG21 ' A' ' 984' ' ' ILE . 94.7 m-85 -101.41 -172.84 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 71.03 111.041 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.7 pttt -123.86 -49.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.32 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.729 ' HB3' HG12 ' A' 1004 ' ' VAL . 31.4 mttt -118.7 160.69 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.32 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.563 ' CE3' HG13 ' A' ' 984' ' ' ILE . 37.2 m95 -72.33 -22.41 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 72.14 108.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.729 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -63.75 -21.03 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.41 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -77.99 -28.47 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.44 110.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -61.2 111.32 4.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.43 109.291 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.05 -0.19 9.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 72.22 110.968 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.38 137.02 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 75.44 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 3.4 t -72.0 158.56 35.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 53.51 110.379 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.562 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.1 m-85 -139.91 165.7 29.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.51 110.983 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.64 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 75.44 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -149.3 104.91 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 73.43 109.27 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 921' ' ' HIS . 4.7 mt -98.73 171.3 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.43 109.323 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.53 133.64 16.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.03 109.237 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 21.7 m-30 -62.09 -41.46 98.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.2 110.953 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.6 t -40.65 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 64.31 109.971 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' 1015 ' ' TYR . 38.0 mm-40 -62.1 -49.92 73.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 70.25 110.279 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1018 ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.6 m -76.47 87.62 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.15 108.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.4 ' C ' HD13 ' A' 1020 ' ' LEU . 1.8 m -108.89 35.54 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 51.43 108.309 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.779 HD13 ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -82.26 -72.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 75.21 109.336 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -86.32 -9.27 56.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.01 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 1.1 m -76.39 64.21 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.32 109.983 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1023 ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' 1024 ' ' GLU . 93.1 m-20 -125.38 31.32 5.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 70.33 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1024 ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' 1023 ' ' ASP . 0.0 OUTLIER -48.37 176.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 70.52 110.328 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 71.24 109.32 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.031 -0.828 . . . . 72.41 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.91 36.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 42.35 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.77 -176.31 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 73.4 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 174.28 114.9 0.37 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 74.44 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 6.6 t -172.18 170.12 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 62.1 109.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.542 ' O ' ' ND2' ' A' ' 993' ' ' ASN . 2.5 m-85 -88.95 166.9 13.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 72.43 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.473 ' O ' HD11 ' A' 1008 ' ' ILE . 15.0 mtmt -136.06 27.58 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 72.21 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 -93.13 22.1 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 75.21 109.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -112.1 127.61 26.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 54.4 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.512 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -75.01 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 63.41 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.9 -26.57 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 43.44 109.987 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.518 HD13 ' OD1' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -87.4 -22.98 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.14 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -102.22 151.96 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 71.01 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.832 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.31 161.63 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.43 110.406 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.83 141.4 33.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 62.02 111.027 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -135.6 175.85 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 62.22 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.8 t -91.0 122.09 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.966 -1.015 . . . . 74.45 110.931 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -52.04 -60.53 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 73.13 109.284 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -45.83 -59.95 2.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.23 109.277 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.8 m -97.41 -100.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.43 108.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.7 m 153.93 42.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.15 109.99 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.32 132.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 25.53 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -63.23 108.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 71.35 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.422 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.46 -34.68 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 52.11 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.2 p -178.65 162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 70.51 108.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.31 157.09 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.23 109.985 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -51.36 -46.52 52.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 64.42 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.405 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.7 pp20? -63.26 -27.72 69.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 55.53 110.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.85 31.28 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 63.02 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.524 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.45 156.59 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 53.11 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.577 ' CG ' HD12 ' A' 1013 ' ' LEU . 14.1 m80 -122.48 162.48 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.54 109.623 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 4.2 t -124.55 163.11 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 73.2 109.316 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.555 HD13 ' CE2' ' A' 1015 ' ' TYR . 2.7 mt -130.47 110.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 75.23 109.286 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 923' ' ' ILE . 2.4 pt-20 40.94 29.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.42 110.257 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.528 ' N ' ' CD ' ' A' ' 925' ' ' LYS . 0.0 OUTLIER 46.79 49.56 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.31 109.313 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.52 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 19.7 ptm -135.5 -42.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 70.32 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.52 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.4 m170 -127.15 134.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 73.01 109.604 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -95.52 106.61 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 63.04 109.555 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.95 138.62 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 75.21 109.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.04 95.84 6.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 71.53 109.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.9 mmt -84.51 46.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 72.11 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.416 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -104.71 123.85 38.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 63.3 110.397 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 71.55 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 932' ' ' THR . 12.0 pt-20 -59.16 -34.28 71.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 64.11 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 938' ' ' LEU . 70.0 t80 -59.97 -20.3 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 63.25 111.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -65.02 -16.44 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.43 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.11 6.03 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.14 110.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 935' ' ' PHE . 13.5 mt -110.75 -17.16 13.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 74.52 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -125.37 151.51 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.33 110.982 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.5 mt -124.96 137.96 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 70.41 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.668 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.53 137.27 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.11 109.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.745 ' HD3' HD11 ' A' ' 961' ' ' ILE . 1.1 mpt_? -113.98 120.91 42.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 72.14 110.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -47.91 104.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 65.14 110.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.959 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.7 t-20 -153.9 129.64 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.2 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -8.17 31.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.23 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.959 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.04 -13.4 35.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 52.35 109.312 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.32 -58.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 75.03 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.535 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER -72.37 145.91 47.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.44 110.306 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -134.63 147.84 50.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 73.32 109.284 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 952' ' ' ALA . 13.3 mptt -66.64 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 64.1 109.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.18 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.24 108.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -177.27 173.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 70.41 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.1 -34.37 9.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 73.33 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 954' ' ' TYR . . . . . 0.48 ' CG ' ' SD ' ' A' ' 972' ' ' MET . 9.4 m-85 -108.19 93.47 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.34 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 973' ' ' VAL . 6.7 tm0? -67.2 138.62 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 32.31 110.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -109.83 157.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 73.1 109.33 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -106.01 -23.11 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 73.12 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 165.71 -153.9 24.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.167 . . . . 74.53 110.965 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -119.72 122.11 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.31 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.668 HG22 HG23 ' A' ' 941' ' ' VAL . 14.7 pt -79.71 134.28 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 64.35 109.26 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.841 HG22 ' HA ' ' A' ' 967' ' ' ALA . 27.7 pt -136.48 148.32 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 73.44 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.25 -175.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.43 108.26 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.41 -51.84 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.32 109.255 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 6.9 m -55.02 -38.41 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.21 108.305 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.42 33.44 1.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.554 1.159 . . . . 72.42 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.9 tp60 -92.65 123.49 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 74.44 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.841 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.78 101.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.14 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 4.9 m0 -76.78 -36.98 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 75.33 108.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 970' ' ' THR . . . 174.29 -127.74 1.36 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 72.03 110.991 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.609 HG23 ' HZ1' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -154.22 138.68 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 72.03 110.412 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.552 ' O ' HG23 ' A' ' 956' ' ' ILE . 1.3 ttm -85.79 105.95 16.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.22 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 972' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 9.7 mtm -81.85 169.37 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 53.44 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 955' ' ' GLN . 21.2 t -140.16 136.2 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.54 109.338 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.509 ' CE1' ' CZ ' ' A' 1021 ' ' PHE . 1.9 t-80 -129.91 100.19 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 60.02 109.612 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.9 mttp 60.66 18.75 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 42.25 109.269 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.35 27.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 74.42 111.011 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' 1021 ' ' PHE . 14.6 tp -85.47 166.68 16.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 71.43 109.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -118.83 113.39 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.14 109.275 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' 1015 ' ' TYR . 0.2 OUTLIER -139.24 102.26 7.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 75.41 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 122.73 7.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 55.55 110.972 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.81 100.69 10.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 74.21 108.274 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -81.51 165.38 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.34 109.289 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.609 ' HZ1' HG23 ' A' ' 970' ' ' THR . 40.2 mttt -128.69 122.37 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 71.04 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -59.11 -22.09 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.04 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 2.9 ptt180 -70.43 -5.93 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 54.14 110.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 15.1 m120 -124.56 -0.01 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.34 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.2 m-85 -122.9 -176.19 3.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 71.21 110.971 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 10.6 t -140.92 157.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.52 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.41 122.51 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 75.43 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.1 t -114.66 120.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.44 109.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 903' ' ' ILE . 30.7 m-85 -82.61 134.64 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 71.04 111.042 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -85.98 -46.01 10.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 52.01 109.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 896' ' ' TYR . 3.2 m-20 -40.66 -55.73 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 71.13 109.295 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 994' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 996' ' ' THR . 2.9 t-20 -123.98 132.77 53.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 72.33 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 2.2 t -58.49 84.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 70.33 109.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.689 HG22 ' HZ2' ' A' ' 998' ' ' LYS . 2.1 m -148.15 161.03 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 71.34 110.445 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 990' ' ' VAL . 3.0 ttpp -133.91 115.13 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 53.44 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.689 ' HZ2' HG22 ' A' ' 996' ' ' THR . 4.3 mptt -104.62 129.04 52.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.24 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -107.87 108.25 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 71.44 110.296 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.469 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.6 m-85 -101.26 -171.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 75.14 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.555 ' CA ' HG22 ' A' ' 984' ' ' ILE . 47.3 pttt -129.7 -45.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 72.52 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.593 ' HB3' HG12 ' A' 1004 ' ' VAL . 17.5 mmtp -117.41 149.65 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 74.43 109.298 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 42.7 m95 -63.89 -38.98 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 75.31 108.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.593 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.6 OUTLIER -48.03 -25.86 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.25 109.278 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.81 -40.08 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 62.13 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.794 HD23 ' CZ ' ' A' 1010 ' ' PHE . 7.2 tp -50.49 107.08 0.73 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.23 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.453 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.01 1.04 8.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 73.34 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.36 135.62 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.44 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.0 t -69.82 144.76 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.11 110.411 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.794 ' CZ ' HD23 ' A' 1006 ' ' LEU . 5.4 m-85 -124.82 165.83 23.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 62.12 111.03 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 71.25 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.14 108.69 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 63.1 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -118.62 118.4 31.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 73.41 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.417 ' O ' HD22 ' A' 1013 ' ' LEU . 1.7 m-20 -90.66 -177.34 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 72.41 109.335 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.555 ' CE2' HD13 ' A' ' 923' ' ' ILE . 11.3 m-85 -88.78 -56.54 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 71.04 110.969 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.3 t -39.4 -30.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.51 110.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' 1015 ' ' TYR . 17.9 mm-40 -41.37 -48.7 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 73.22 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 4.0 m -96.9 155.84 16.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 74.15 108.301 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 34.4 t -129.77 22.06 5.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 63.24 108.342 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' 1020 ' ' LEU . 2.7 mt -55.05 -36.14 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 61.33 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 15.6 m-85 -38.27 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 73.31 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' 1020 ' ' LEU . 6.6 t -46.9 105.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 53.42 110.031 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.5 22.25 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 70.1 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.85 170.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.3 110.311 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 13.7 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 72.33 109.315 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.031 -0.827 . . . . 72.32 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.732 ' C ' HD12 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.95 174.6 12.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.454 1.765 . . . . 74.31 111.063 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.732 HD12 ' C ' ' A' ' 892' ' ' PRO . 5.5 mp -156.76 173.54 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 71.22 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 162.3 135.09 1.75 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 74.45 110.966 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.9 p -126.1 -74.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.12 109.971 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.517 ' O ' ' ND2' ' A' ' 993' ' ' ASN . 17.6 m-85 -40.5 161.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 74.51 111.035 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 897' ' ' LYS . 1.5 ttmp? -175.64 159.14 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.11 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 28.9 t30 74.17 27.46 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 75.21 109.272 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -119.58 126.0 27.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 64.1 109.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 42.41 110.968 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.69 -26.02 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.2 109.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.496 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.66 -24.98 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.22 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -100.11 152.54 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.15 109.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.36 159.79 42.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 74.12 110.447 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.68 139.06 36.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 61.03 111.028 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -133.83 177.26 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 54.41 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.4 t -91.93 122.47 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.971 -1.013 . . . . 73.32 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.15 109.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.82 -57.83 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 33.23 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.3 -100.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.55 108.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.9 OUTLIER 152.98 42.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 52.31 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.49 134.58 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 52.04 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.23 106.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 72.24 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.409 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.29 -35.08 18.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 55.44 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 1.002 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.1 m -178.74 160.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 71.12 108.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.665 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.3 t -105.67 162.19 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.12 110.007 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -57.73 -45.97 92.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 74.45 111.047 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.41 -17.41 62.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 73.21 110.356 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -105.34 28.77 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.41 109.299 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.07 156.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 63.54 109.311 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.926 ' CE1' HD12 ' A' 1013 ' ' LEU . 29.2 m80 -119.75 172.08 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.4 109.605 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.439 HG22 ' CE1' ' A' ' 928' ' ' HIS . 3.6 t -128.86 155.55 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.21 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.642 HD12 ' CE2' ' A' 1015 ' ' TYR . 6.5 mm -131.82 112.72 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 71.03 109.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 53.33 24.29 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 65.03 110.257 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 49.15 27.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 71.44 109.325 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.455 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.2 ptp -125.39 -40.24 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.22 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.455 ' N ' ' CG ' ' A' ' 926' ' ' MET . 18.4 m170 -117.67 136.17 53.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 73.2 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.439 ' CE1' HG22 ' A' ' 922' ' ' VAL . 5.0 m80 -104.53 107.57 18.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 72.34 109.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.1 m -102.29 130.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 65.24 109.266 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -94.44 95.8 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 75.23 109.282 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 931' ' ' MET . . . . . 0.537 ' SD ' HD13 ' A' 1013 ' ' LEU . 14.2 mtp -83.92 47.16 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 61.02 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 932' ' ' THR . . . . . 1.002 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 124.12 36.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 64.44 110.433 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.6 Cg_endo -74.94 -44.84 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 71.42 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.54 ' HG3' HG22 ' A' ' 932' ' ' THR . 0.0 OUTLIER -56.14 -33.85 65.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 62.44 110.306 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 938' ' ' LEU . 87.2 t80 -62.43 -20.64 64.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 71.44 110.938 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.1 ptpt -63.95 -17.78 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 73.34 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.04 5.09 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 65.42 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.5 mt -111.15 -10.25 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 62.02 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.72 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -130.16 151.02 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.21 111.041 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.781 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.33 140.01 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 73.11 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.72 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.14 124.0 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 75.22 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.704 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -101.34 123.08 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 71.32 110.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -46.55 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 73.33 110.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.937 HD22 ' HB3' ' A' ' 946' ' ' ALA . 9.9 t-20 -156.9 116.43 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 72.33 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 -8.53 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.33 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.937 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.82 -13.95 39.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.21 109.321 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.5 mm? -104.41 -57.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 75.14 109.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.502 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER -77.11 146.8 36.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 64.21 110.287 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -137.47 -179.04 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 74.1 109.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 952' ' ' ALA . 27.0 mttt -102.89 -77.82 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 65.23 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.36 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 71.35 108.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -177.71 -177.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 73.11 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.82 -26.37 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 75.24 109.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.7 95.94 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.24 111.018 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 973' ' ' VAL . 29.5 tp60 -66.89 136.0 54.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 65.21 110.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.93 158.05 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 73.24 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -102.56 -25.51 13.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.33 109.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.17 -141.4 7.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 33.12 111.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.36 135.36 55.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 54.51 110.297 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.463 HG22 ' CE1' ' A' ' 939' ' ' TYR . 5.3 pt -93.75 128.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 40.25 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.707 HG22 ' HA ' ' A' ' 967' ' ' ALA . 19.4 pt -130.95 140.08 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 73.24 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -57.67 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 63.41 108.268 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.781 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 7.6 mmmt -62.28 -49.68 74.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 61.42 109.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -58.12 -32.26 67.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.3 108.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.44 42.4 1.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 74.1 110.978 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.3 tp60 -101.71 118.21 36.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 71.44 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.707 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.6 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.21 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.695 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.9 m0 -68.8 -34.8 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.4 107.948 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 170.39 -122.77 1.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 73.54 111.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.72 151.51 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 75.25 110.362 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 956' ' ' ILE . 19.1 tpp -95.38 92.53 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 61.35 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.82 151.94 27.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.25 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.8 t -125.57 150.15 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 64.1 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.759 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 2.3 t-80 -142.34 103.45 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 70.43 109.567 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 15.4 mttp 62.51 23.2 13.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 52.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.58 0.66 57.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 25.11 111.027 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.832 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.24 162.35 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 53.44 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.832 ' H ' HD13 ' A' ' 977' ' ' LEU . 2.6 p30 -110.63 116.02 30.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 61.11 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -135.84 96.17 13.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.02 109.339 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.436 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.95 116.47 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 62.4 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.19 104.53 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 52.25 108.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -86.42 166.87 15.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 53.52 109.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -128.67 122.39 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 45.25 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.8 mt -58.68 -18.55 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.13 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -6.34 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.15 110.372 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 22.8 m120 -124.57 -0.85 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.42 109.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.5 m-85 -121.86 -176.28 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 63.31 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 19.7 t -137.38 160.97 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 74.31 109.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.04 116.93 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 75.22 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.7 t -113.88 124.26 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.12 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -82.41 137.46 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 70.04 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 992' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 902' ' ' LEU . 26.8 ttpp -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.31 109.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 896' ' ' TYR . 3.3 m-20 -40.79 -54.17 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 64.22 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -135.73 154.82 51.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 71.41 109.302 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 19.6 t -67.14 93.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 74.41 110.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 2.5 m -152.54 155.36 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 54.23 110.427 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.2 ttpt -133.53 112.65 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 61.14 109.272 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.04 129.78 54.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 63.42 109.312 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -107.07 110.9 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 64.32 110.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.0 m-85 -102.79 -171.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.23 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.1 pttm -126.1 -48.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.42 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.726 ' HB3' HG12 ' A' 1004 ' ' VAL . 19.3 mttm -120.33 158.6 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.41 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.649 ' HA ' HD12 ' A' ' 984' ' ' ILE . 21.7 m95 -70.17 -24.45 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.35 107.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -61.19 -21.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 65.53 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.99 -26.57 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 74.1 110.331 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.44 112.36 5.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.25 109.377 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.65 17.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 74.45 110.965 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.28 133.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.22 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.3 t -69.99 151.83 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.44 110.421 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.843 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.8 m-85 -129.2 163.09 48.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 71.3 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -163.24 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 73.34 111.019 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -149.08 103.47 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 75.4 109.283 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.926 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.14 122.34 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 74.13 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 2.5 m-20 -115.47 110.09 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 73.42 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.759 ' CE1' ' CD2' ' A' ' 974' ' ' HIS . 1.2 p90 -36.56 -45.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 74.12 111.062 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 8.3 t -39.23 -50.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 74.1 109.986 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -38.8 -51.44 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 70.21 110.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.7 m -97.37 88.17 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 63.43 108.258 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.407 ' C ' HD13 ' A' 1020 ' ' LEU . 3.6 m -114.77 46.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 61.44 108.25 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.783 HD13 ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -82.25 -59.32 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 63.21 109.316 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -49.89 -22.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 72.1 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 30.2 t -39.49 108.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 62.11 110.013 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.95 21.84 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.2 109.301 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.34 174.48 11.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 70.11 110.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.4 109.302 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.832 . . . . 63.25 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.837 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.4 Cg_endo -74.98 167.49 26.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 74.13 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.837 HD22 ' C ' ' A' ' 892' ' ' PRO . 3.3 mm? -144.23 -176.54 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 70.05 109.266 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 144.36 134.99 2.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 64.53 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.7 p -123.28 -75.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 44.01 110.002 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -121.79 174.29 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.33 111.014 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -159.64 176.23 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 74.04 109.292 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 40.2 t30 73.46 24.46 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 45.3 109.274 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -123.15 131.15 24.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.41 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -74.97 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 61.12 111.021 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -85.72 -24.08 27.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 74.23 110.035 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.714 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -91.41 -23.09 20.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 70.13 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.618 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.21 159.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 75.04 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.55 162.29 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 71.43 110.364 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 920' ' ' ILE . 8.3 m-30 -103.33 137.54 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 64.33 111.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -131.04 177.24 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 65.13 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 50.4 t -92.07 120.35 32.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.023 -0.99 . . . . 53.2 110.914 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -50.7 -59.62 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 70.14 109.28 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -46.3 -59.66 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 74.22 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 911' ' ' SER . 79.0 m -97.17 -102.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 60.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.0 OUTLIER 155.93 40.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.35 109.969 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.81 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 74.31 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.39 106.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 71.34 109.288 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.39 -35.3 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.44 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.6 p -177.69 162.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 74.51 108.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.689 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.43 155.29 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 65.15 109.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.12 -52.22 23.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 55.21 111.029 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.429 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.5 pp20? -55.26 -30.78 60.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 74.24 110.289 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.91 29.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.3 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.779 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.47 149.61 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 70.04 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.698 ' CG ' HD12 ' A' 1013 ' ' LEU . 27.3 m80 -114.99 170.0 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 63.21 109.574 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 2.8 t -129.15 147.94 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.13 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' 1015 ' ' TYR . 4.6 mm -124.87 111.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 63.11 109.337 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.17 21.4 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 72.12 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.427 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 50.72 23.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.22 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 927' ' ' HIS . 5.2 ptp -117.81 -33.92 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 72.42 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 926' ' ' MET . 24.5 m80 -128.28 135.87 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 74.35 109.579 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -101.83 107.69 18.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 71.33 109.577 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.38 128.7 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.25 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.779 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.7 t30 -97.39 96.92 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 52.04 109.262 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.2 mtt -82.52 47.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 73.13 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.463 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.5 OUTLIER -105.36 123.98 37.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.12 110.394 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 40.32 111.021 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.463 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.0 pt-20 -56.47 -31.58 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 52.24 110.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 85.5 t80 -63.29 -21.72 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 65.45 110.958 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.83 -15.99 62.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.19 6.09 32.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 63.03 110.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.592 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.9 mt -114.24 -10.28 12.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 64.2 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.1 OUTLIER -130.44 151.13 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 72.24 111.023 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.783 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.82 139.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.34 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.31 131.08 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 61.21 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.719 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.1 OUTLIER -105.75 122.3 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 72.54 110.346 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -49.42 104.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 72.43 110.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.976 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.1 t-20 -157.46 130.53 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.32 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -96.67 -8.24 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.44 109.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.976 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.98 -13.51 35.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 61.13 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.7 mm? -102.58 -75.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.02 109.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.816 HE22 ' H ' ' A' ' 950' ' ' LYS . 1.4 pp0? -57.62 161.32 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 63.05 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 0.5 OUTLIER -151.24 102.02 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 61.04 109.312 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.816 ' H ' HE22 ' A' ' 948' ' ' GLN . 23.0 mmtt -40.18 -66.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 71.34 109.345 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 951' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 22.6 m -56.65 93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.15 108.294 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 177.35 -173.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.33 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.88 -32.64 8.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 61.23 109.276 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -107.18 93.53 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 71.01 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 973' ' ' VAL . 31.4 tp60 -67.51 130.56 43.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.02 110.293 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.536 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.0 157.86 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 74.52 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 957' ' ' ASN . . . . . 0.427 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 2.1 m-20 -96.53 -25.72 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.55 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.56 -137.54 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 75.43 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -121.61 122.43 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 71.14 110.254 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.441 HG22 ' CE1' ' A' ' 939' ' ' TYR . 4.8 pt -80.69 134.21 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 40.34 109.294 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.719 HD11 ' HD3' ' A' ' 942' ' ' ARG . 21.1 pt -134.3 139.92 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.33 109.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -58.63 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.1 108.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.783 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 8.5 mmmt -63.29 -49.38 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 73.2 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.1 m -57.93 -31.76 67.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 70.13 108.258 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.05 41.99 1.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 73.14 111.005 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.425 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.7 tp60 -102.85 117.96 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 71.31 110.283 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.686 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.05 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.52 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.657 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.0 m0 -68.83 -32.29 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 70.44 108.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' THR . . . 168.09 -114.86 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 63.31 111.046 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -157.06 156.95 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 71.42 110.399 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.3 tpp -100.26 95.33 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.31 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 972' ' ' MET . . . . . 0.447 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 34.8 mtp -81.99 147.66 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 62.33 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -125.76 143.51 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 72.22 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.623 ' CE1' ' CZ ' ' A' 1021 ' ' PHE . 2.0 t-80 -132.56 104.74 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 63.31 109.585 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 0.0 OUTLIER 61.7 15.42 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 71.13 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.86 4.42 33.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 25.02 111.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 10.8 tp -79.32 166.31 22.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 54.03 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.34 112.33 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 70.41 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.524 HD22 ' OH ' ' A' 1015 ' ' TYR . 0.2 OUTLIER -135.69 96.38 13.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.12 109.338 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.457 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.98 116.49 4.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 75.55 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.09 106.47 18.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 72.12 108.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 987' ' ' PHE . 0.9 OUTLIER -87.86 169.73 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 54.54 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -131.26 122.9 27.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 73.12 109.27 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.0 mt -58.79 -18.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.4 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -72.67 -5.73 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 72.2 110.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 21.0 m120 -125.46 -0.19 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 70.5 109.305 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.657 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.3 m-85 -122.37 -176.28 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.34 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.92 162.77 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 75.14 109.316 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.56 123.63 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.22 109.286 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.765 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -113.69 114.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.4 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 903' ' ' ILE . 55.5 m-85 -84.89 118.67 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 71.03 110.921 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -86.06 -10.65 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 71.42 109.321 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.714 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.4 m-20 -99.99 -50.28 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 64.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.15 -3.43 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 41.23 109.27 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 97.9 p 47.88 54.02 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 63.13 109.977 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 997' ' ' LYS . 18.8 m -157.39 174.32 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 71.3 110.417 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.765 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.3 ttpp -134.1 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 71.51 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -108.03 157.59 18.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 73.23 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -123.99 107.92 11.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 64.04 110.314 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.472 ' CB ' HG21 ' A' ' 984' ' ' ILE . 92.6 m-85 -98.79 -171.62 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.2 111.017 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.53 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.3 pttt -127.03 -47.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 75.2 109.244 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.497 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 74.13 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.758 ' HA ' HD12 ' A' ' 984' ' ' ILE . 29.7 m95 -67.53 -26.32 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 70.41 108.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.497 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -61.67 -31.8 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 63.32 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.26 -22.84 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.845 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -62.34 112.43 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 63.4 109.294 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 62.21 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.46 134.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.33 109.255 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -71.17 146.36 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 62.2 110.387 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.845 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.2 m-85 -124.83 165.21 26.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.3 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 50.23 110.993 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.24 105.39 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 54.24 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.698 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.6 123.21 45.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 54.52 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 17.7 t0 -110.04 173.3 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 73.31 109.287 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.524 ' OH ' HD22 ' A' ' 979' ' ' LEU . 19.7 m-30 -89.18 -41.76 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.15 111.012 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 4.3 t -41.42 -28.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.04 110.019 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.48 -48.43 80.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.14 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1018 ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.9 m -90.27 138.27 31.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 75.51 108.251 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 57.4 m -130.93 35.19 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 60.23 108.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.67 ' N ' HD23 ' A' 1020 ' ' LEU . 2.5 mt -67.29 -37.55 83.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 64.13 109.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.623 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 64.1 m-85 -38.37 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.3 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1020 ' ' LEU . 7.4 t -59.27 102.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 54.15 109.979 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.87 -33.95 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 75.01 109.342 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.68 159.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.43 110.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 70.14 109.307 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 891' ' ' GLY . . . . . 0.448 ' N ' ' CD ' ' A' ' 892' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 53.23 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 891' ' ' GLY . 18.4 Cg_endo -75.02 -14.34 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 63.01 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.92 139.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 74.43 109.31 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 137.9 126.23 2.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 51.13 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 39.3 t -118.69 -75.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 64.52 110.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -97.95 -61.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 54.05 110.978 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.515 ' O ' HD11 ' A' 1008 ' ' ILE . 21.6 ttpp 64.95 40.54 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' 1007 ' ' PRO . 29.0 t-20 -119.99 19.69 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 63.45 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -102.28 125.92 34.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 75.52 109.309 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.1 Cg_endo -75.05 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 74.25 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.9 -19.82 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 62.35 110.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.841 HD22 ' OD1' ' A' ' 993' ' ' ASN . 1.4 mt -92.62 -23.71 18.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 74.3 109.276 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.621 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.3 OUTLIER -101.26 151.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 64.12 109.314 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.846 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -141.41 159.74 41.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.44 110.443 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.4 m-30 -100.99 139.58 36.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 63.13 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.567 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.87 176.01 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 54.5 109.329 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -91.08 122.85 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.009 -0.996 . . . . 73.11 110.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -52.83 -61.44 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 71.11 109.267 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -44.62 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.34 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.3 m -100.04 -101.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 54.21 108.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.0 t 154.69 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.01 109.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.03 133.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.22 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.846 HD21 HG22 ' A' ' 904' ' ' THR . 1.0 OUTLIER -61.5 106.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 24.3 109.283 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.85 -36.18 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.14 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.67 166.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 72.55 108.288 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.482 ' HB3' HG23 ' A' ' 904' ' ' THR . 0.1 OUTLIER -97.65 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 53.03 110.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 917' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -65.48 -29.73 75.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 74.44 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.3 pp20? -83.37 -17.26 42.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 73.1 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 19.22 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 54.52 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -118.09 157.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 54.41 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.841 ' ND1' HD12 ' A' 1013 ' ' LEU . 10.5 m170 -117.85 157.17 27.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 64.34 109.598 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.4 t -121.66 152.32 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 71.35 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.498 HD11 ' CE1' ' A' 1015 ' ' TYR . 3.7 mm -127.05 114.66 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 71.44 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 926' ' ' MET . 93.7 mt-10 49.59 30.06 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 75.12 110.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.2 mptt 40.92 29.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.54 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' ' 924' ' ' GLU . 24.8 ptm -123.07 -39.25 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 64.24 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.438 ' N ' ' CG ' ' A' ' 926' ' ' MET . 35.4 m170 -122.35 114.65 21.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 50.45 109.582 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -91.63 108.39 19.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 72.12 109.581 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.73 146.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 62.51 109.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -97.0 95.59 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.01 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.19 47.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 53.41 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.792 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.15 124.19 36.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 63.31 110.452 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.492 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.5 Cg_endo -74.95 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 64.5 111.043 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.6 pt-20 -59.18 -28.65 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.23 110.33 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.69 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.8 t80 -68.03 -19.47 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.03 110.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.57 -16.26 64.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 54.13 109.329 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.24 4.34 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.42 110.267 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 935' ' ' PHE . 17.9 mt -107.9 -18.88 13.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 71.42 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -121.16 152.11 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.43 111.038 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.07 136.36 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.31 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.4 134.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.53 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.561 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -109.08 121.45 45.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.51 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.15 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.44 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.972 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.1 t-20 -154.31 130.33 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 64.31 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -96.55 -8.07 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 73.44 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.972 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.21 -13.42 37.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 63.44 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.8 mm? -103.61 -76.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 74.41 109.279 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -58.6 161.01 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 75.53 110.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 21.7 mttt -143.84 178.02 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.11 109.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 952' ' ' ALA . 49.4 mttt -101.28 -77.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 55.34 109.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 7.4 p -53.6 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 75.34 108.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.47 179.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.13 109.256 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -110.33 -25.39 10.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 72.13 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -109.16 93.48 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 65.5 111.022 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 973' ' ' VAL . 10.4 tm0? -67.43 136.32 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 55.11 110.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -115.26 156.93 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 65.13 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.42 -26.82 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.21 109.306 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.01 -137.21 5.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 42.23 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.26 126.69 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 74.24 110.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.403 HG22 HG23 ' A' ' 941' ' ' VAL . 10.6 pt -83.97 137.17 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 65.3 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 967' ' ' ALA . 28.0 pt -138.58 143.7 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.21 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -62.88 -174.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 65.32 108.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.69 -51.12 70.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 75.42 109.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.0 m -55.99 -36.65 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 71.3 108.335 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 115.11 38.3 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 52.22 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 31.7 tp60 -97.84 118.05 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 61.22 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.768 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.69 97.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 64.34 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.2 m0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.33 108.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.75 -120.1 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 73.24 110.991 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -152.36 161.93 41.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 70.24 110.421 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.1 tpp -109.02 98.45 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.43 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.0 mtp -82.1 150.14 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 72.33 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.1 t -126.68 144.13 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 63.55 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.458 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.2 t-80 -133.21 98.16 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.43 109.631 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.458 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 10.8 mtmt 60.86 21.76 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.44 109.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 106.46 6.64 35.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 43.44 111.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.801 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.3 tp -79.59 166.37 21.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 71.02 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -121.83 110.93 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 70.33 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.481 ' CD2' ' OH ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -135.01 96.65 14.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 73.32 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.511 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 54.55 110.996 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.84 105.36 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 53.44 108.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.69 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -87.21 168.95 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 62.13 109.303 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -128.61 122.82 31.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.23 109.277 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -60.44 -17.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.43 109.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.92 -11.62 60.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 63.22 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 26.4 m120 -118.15 -4.59 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.14 109.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.638 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.6 m-85 -116.4 -177.58 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 73.42 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.4 t -138.02 162.02 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.14 109.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.84 122.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.22 109.269 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.3 t -113.85 120.66 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 61.01 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.621 ' CD1' HG22 ' A' ' 903' ' ' ILE . 57.4 m-85 -91.69 118.64 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 75.24 111.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -85.97 -18.58 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.52 109.28 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.841 ' OD1' HD22 ' A' ' 902' ' ' LEU . 2.6 m120 -100.12 -2.17 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 70.31 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 994' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 991' ' ' PHE . 30.6 t30 -123.0 0.39 9.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 72.34 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 995' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 994' ' ' ASN . 94.0 p 39.15 56.89 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 64.55 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 997' ' ' LYS . 29.6 m -157.26 171.6 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 65.23 110.402 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.59 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.4 ttmt -133.88 115.26 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 65.21 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.28 171.46 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 72.45 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -140.51 106.0 5.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 73.11 110.244 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.487 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 65.0 m-85 -93.73 -170.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 72.52 111.02 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.519 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.5 pttt -126.66 -48.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.24 109.336 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.704 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttp -119.15 157.26 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.11 109.35 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.707 ' HA ' HD12 ' A' ' 984' ' ' ILE . 34.9 m95 -68.5 -24.65 64.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 75.12 108.004 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.704 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -64.1 -31.53 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.14 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.67 -18.88 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 71.05 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.07 113.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.23 109.283 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.479 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.97 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 73.12 111.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.515 HD11 ' O ' ' A' ' 897' ' ' LYS . 0.8 OUTLIER -87.21 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.33 109.305 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -83.13 135.23 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.23 110.394 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.647 ' CE1' HD23 ' A' 1006 ' ' LEU . 5.1 m-85 -106.65 165.03 13.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 71.33 111.024 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -163.77 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 64.3 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -148.7 111.3 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 63.24 109.34 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.841 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -121.67 119.53 32.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 64.21 109.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.48 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 64.24 109.345 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.498 ' CE1' HD11 ' A' ' 923' ' ' ILE . 21.4 m-85 -89.27 -40.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 75.24 111.03 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -33.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 63.3 110.049 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -44.9 -52.17 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 63.44 110.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 27.6 m -96.79 129.91 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 73.43 108.289 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 1.8 m -125.79 24.08 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 73.55 108.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' 1020 ' ' LEU . 1.1 mt -63.16 -41.8 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 62.24 109.315 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.31 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 71.21 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' 1020 ' ' LEU . 6.5 t -51.58 104.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.11 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 43.6 t0 -110.18 -15.57 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 75.23 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.66 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 62.23 110.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 43.41 109.289 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 891' ' ' GLY . . . . . 0.524 ' O ' HD12 ' A' ' 893' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 45.53 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.711 ' C ' HD12 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.99 150.14 37.75 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.441 1.759 . . . . 74.45 111.038 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.711 HD12 ' C ' ' A' ' 892' ' ' PRO . 5.7 mp -154.01 165.46 36.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 63.34 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 173.45 110.75 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 63.05 110.98 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 17.7 m -175.02 168.68 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 74.34 110.022 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -80.16 168.41 19.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.11 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.457 ' O ' HD11 ' A' 1008 ' ' ILE . 8.5 mtmm -133.98 22.18 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 71.43 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.3 t-20 -91.26 19.22 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 75.25 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -107.61 125.84 31.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.33 109.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.01 0.71 8.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 51.42 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 17.8 t -84.1 -26.32 29.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 73.01 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.703 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -89.14 -24.04 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.43 109.357 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.79 158.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.42 109.317 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.848 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.94 159.56 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 63.34 110.42 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.73 139.86 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 72.1 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.95 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 74.41 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.2 t -90.73 122.1 33.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.995 -1.002 . . . . 54.43 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -52.82 -60.57 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 75.32 109.36 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -44.95 -57.77 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.23 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -99.96 -100.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.14 108.318 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.9 p 153.82 42.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 52.53 110.031 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.58 131.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 71.05 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -60.23 106.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.03 109.272 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -85.56 -35.76 20.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 42.33 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.68 168.24 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 53.24 108.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 904' ' ' THR . 5.9 m -106.77 156.67 18.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.25 109.996 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.09 -48.5 62.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 61.42 111.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.8 pp20? -63.19 -25.86 68.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 73.3 110.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.63 32.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 73.33 109.32 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.837 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.3 mm -133.6 147.69 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.12 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 1.034 ' CD2' HD12 ' A' 1013 ' ' LEU . 58.0 m80 -111.45 156.25 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.35 109.642 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.425 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.1 t -124.71 157.31 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 52.43 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 923' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.97 114.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 53.23 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.66 26.24 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 74.34 110.276 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.425 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 47.91 30.97 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 73.21 109.319 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.496 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 9.5 ptp -133.08 -42.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.44 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 926' ' ' MET . 35.8 m80 -101.84 121.73 42.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 64.42 109.625 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.518 ' CE1' ' CD1' ' A' 1003 ' ' TRP . 11.1 p-80 -99.17 102.35 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 74.13 109.615 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.47 135.47 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 53.25 109.344 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.837 ' OD1' HD13 ' A' ' 920' ' ' ILE . 63.9 t30 -101.93 95.94 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 62.42 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.9 mtt -83.99 46.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 65.21 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.7 OUTLIER -103.24 124.12 39.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 75.42 110.385 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 74.41 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 7.7 pt-20 -60.96 -23.42 65.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.31 110.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.725 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 66.8 t80 -73.44 -22.53 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.43 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.0 ptpt -65.04 -14.35 60.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 71.04 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.64 2.79 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.45 110.361 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 935' ' ' PHE . 10.0 mt -108.85 -22.63 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 73.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -116.47 151.2 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.45 111.014 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.8 mt -130.14 136.47 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 52.25 109.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.761 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -93.69 133.22 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.13 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.612 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.7 OUTLIER -114.9 122.13 45.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.45 110.275 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -47.14 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 60.31 110.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 1.006 HD22 ' HB3' ' A' ' 946' ' ' ALA . 9.4 t-20 -153.29 121.67 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.33 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -89.94 -8.76 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.11 109.321 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 1.006 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.55 -13.91 36.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 73.33 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.478 ' HG ' ' CG ' ' A' ' 959' ' ' GLU . 2.0 mm? -108.57 -75.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 75.23 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -54.58 165.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.41 110.296 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 12.7 mtmt -151.03 -172.37 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 65.22 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -99.62 69.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 74.43 109.322 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 951' ' ' CYS . . . . . 0.55 ' O ' ' NE2' ' A' ' 955' ' ' GLN . 87.1 m -108.32 177.75 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 34.15 108.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -128.0 -44.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 54.01 109.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.67 -50.26 66.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 65.21 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -136.26 87.99 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.33 111.049 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.0 tp-100 -73.66 136.33 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 52.14 110.257 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -115.29 158.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.25 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -107.3 -24.06 12.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.12 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.19 -137.82 5.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 72.5 111.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 959' ' ' GLU . . . . . 0.478 ' CG ' ' HG ' ' A' ' 947' ' ' LEU . 12.9 tt0 -128.63 132.37 48.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 64.24 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.408 HG22 ' CE1' ' A' ' 939' ' ' TYR . 11.3 pt -87.1 136.25 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.41 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.8 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.0 pt -137.16 145.04 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 73.02 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -64.4 -174.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 63.11 108.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -61.97 -50.96 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 60.42 109.276 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.8 m -56.16 -34.46 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 62.14 108.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.08 1.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 53.4 110.967 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.1 tp60 -99.94 118.85 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 73.52 110.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.8 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.09 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 74.32 109.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.3 m0 -66.43 -36.45 82.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.32 108.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.71 -128.72 1.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 62.45 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.24 151.24 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 54.4 110.415 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 956' ' ' ILE . 14.8 tpp -94.1 93.98 8.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 72.12 111.024 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 27.1 mtp -82.17 153.42 26.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 71.41 110.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.5 t -124.8 149.23 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.54 109.267 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.8 t-80 -140.02 100.97 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 70.44 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp 60.19 24.57 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.2 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.44 56.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 65.32 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.7 OUTLIER -79.38 162.47 25.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 64.1 109.302 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.795 ' N ' HD13 ' A' ' 977' ' ' LEU . 14.6 m-20 -109.49 115.66 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 53.31 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -134.4 96.23 15.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 74.33 109.316 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 72.21 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.66 106.37 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 61.33 108.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.725 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -88.3 166.37 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 62.33 109.279 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -128.03 124.08 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 70.1 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.571 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -59.34 -19.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 75.42 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -6.21 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 74.43 110.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.419 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 22.9 m120 -124.28 -0.83 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 63.03 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.7 m-85 -122.09 -176.45 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 64.14 111.012 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.7 t -139.61 162.37 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 73.51 109.254 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.45 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -121.07 123.38 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.51 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.82 115.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 64.11 109.333 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.561 ' CD1' HG22 ' A' ' 903' ' ' ILE . 38.9 m-85 -85.14 118.72 24.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 72.41 111.052 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.29 -13.68 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 75.11 109.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.703 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.2 m-20 -99.91 -50.94 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 62.21 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -70.26 -8.6 51.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 75.21 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 995' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 996' ' ' THR . 1.4 m 52.03 52.16 14.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 72.01 110.014 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 997' ' ' LYS . 23.3 m -157.53 175.7 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 72.25 110.384 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.72 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.5 ttpp -134.25 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 54.32 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -109.42 155.53 21.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 74.35 109.327 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -121.91 105.41 10.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.43 110.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.491 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 73.7 m-85 -93.99 -172.49 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 62.33 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.529 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.3 pttt -126.31 -49.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 51.51 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' 1004 ' ' VAL . 11.1 mtpt -115.81 164.17 14.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 71.21 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.5 m95 -75.96 -14.12 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 74.32 108.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -76.02 -34.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.02 109.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.99 -19.24 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.55 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.689 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.07 115.44 40.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 74.03 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.95 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 73.1 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.14 135.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.12 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -81.09 129.19 34.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.1 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.689 ' CE1' HD23 ' A' 1006 ' ' LEU . 21.6 m-85 -100.34 165.65 14.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 61.23 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 70.22 111.024 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -148.56 107.42 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 75.12 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1013 ' ' LEU . . . . . 1.034 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.95 119.3 33.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 71.45 109.298 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 41.6 t0 -100.27 166.89 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 74.31 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1015 ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.15 -39.32 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.42 111.014 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 11.7 t -45.48 -28.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 70.52 110.021 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -47.68 -48.5 29.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 63.51 110.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.6 m -97.0 125.96 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 72.35 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.69 ' C ' HD23 ' A' 1020 ' ' LEU . 7.5 m -122.03 60.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 40.44 108.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.713 ' N ' HD23 ' A' 1020 ' ' LEU . 1.7 mt -99.93 -39.16 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 74.22 109.323 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.63 -6.98 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 74.04 110.974 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.13 46.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.4 109.993 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -68.97 -27.45 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 75.22 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.38 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.51 110.257 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 30.9 p30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 75.03 109.262 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 74.23 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.02 21.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 72.44 111.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 893' ' ' LEU . 4.6 mt -78.94 140.58 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 71.12 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 159.88 101.49 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 43.22 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 895' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 896' ' ' TYR . 1.2 t -100.79 -60.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 71.22 110.021 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 895' ' ' SER . 1.7 m-85 -96.48 -179.55 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 74.51 110.954 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -117.78 15.67 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 75.31 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 -92.81 25.41 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 75.25 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.74 126.2 28.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 75.34 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.22 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.0 t -82.99 -23.9 33.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 64.52 109.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.448 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.8 OUTLIER -92.18 -23.65 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 70.04 109.294 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.78 156.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.31 109.255 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.811 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -143.94 169.47 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.44 110.4 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.733 ' O ' HD23 ' A' ' 906' ' ' LEU . 13.2 m-30 -108.41 138.64 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.13 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 905' ' ' PHE . 2.3 mt -133.36 159.15 41.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 63.44 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 40.5 t -73.64 130.74 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.952 -1.022 . . . . 73.33 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 908' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 18.7 ttpt -57.97 -62.09 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 71.52 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -43.89 -61.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.02 109.311 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.9 m -98.03 -102.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 63.03 108.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.5 p 157.85 41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.32 110.039 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.0 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 64.13 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.811 HD21 HG22 ' A' ' 904' ' ' THR . 0.4 OUTLIER -60.79 106.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.04 109.34 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 914' ' ' ALA . . . . . . . . . . . . . . . -89.19 -36.09 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 62.33 109.29 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.9 169.65 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 72.24 108.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 904' ' ' THR . 23.4 p -113.72 148.08 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.15 109.984 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -48.78 -45.35 31.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 62.32 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.69 -28.82 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 71.42 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -93.12 30.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 63.45 109.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.539 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.35 153.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 60.04 109.334 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.902 ' CD2' HD12 ' A' 1013 ' ' LEU . 48.2 m-70 -119.41 172.38 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 63.34 109.594 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 8.9 t -134.87 158.1 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 73.12 109.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' 1015 ' ' TYR . 3.0 mt -128.85 111.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 74.02 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 41.11 28.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 62.33 110.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 925' ' ' LYS . 0.0 OUTLIER 49.5 48.99 20.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.51 109.28 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.513 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.5 ptm -137.91 -42.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.53 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.513 ' N ' ' CG ' ' A' ' 926' ' ' MET . 11.0 m170 -122.28 144.79 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 52.33 109.618 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' 1003 ' ' TRP . 1.3 m-70 -109.15 105.49 14.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 73.15 109.535 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.45 134.88 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 52.3 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 5.2 t-20 -103.39 95.77 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 73.22 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 35.0 mmm -84.37 45.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 63.22 110.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.508 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -109.1 124.18 34.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 74.23 110.38 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.49 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.808 . . . . 64.21 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -55.9 -32.98 64.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 73.34 110.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 938' ' ' LEU . 39.5 t80 -58.54 -21.78 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 74.33 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 13.0 ptpt -62.89 -19.46 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 73.11 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.53 4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.14 110.249 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.526 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.3 mt -111.33 -19.85 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 55.41 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -124.1 149.63 45.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.32 110.999 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -125.11 135.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 65.05 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -98.43 133.79 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.05 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.83 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -110.55 122.48 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.51 110.319 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.55 104.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 71.35 110.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.948 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.2 t-20 -153.14 129.79 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 61.21 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.45 -7.91 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 65.25 109.339 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.948 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.29 -13.42 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 35.13 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.7 mm? -103.42 -77.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.31 109.28 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.496 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -53.24 161.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 35.52 110.253 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 948' ' ' GLN . 0.1 OUTLIER -151.12 -162.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 73.03 109.346 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -92.05 65.31 4.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 64.12 109.296 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 49.3 m -99.5 140.64 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 55.33 108.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -109.73 -24.5 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 72.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.11 -35.94 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 64.41 109.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 954' ' ' TYR . . . . . 0.602 ' CD1' ' SD ' ' A' ' 972' ' ' MET . 6.1 m-85 -147.78 85.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 73.54 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 973' ' ' VAL . 0.0 OUTLIER -73.33 141.33 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 74.14 110.305 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -113.34 156.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.272 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.56 -23.18 12.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 72.24 109.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.27 -138.96 6.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 70.21 111.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.7 144.25 50.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 64.03 110.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 960' ' ' ILE . . . . . . . . . . . . . 17.7 pt -101.82 135.4 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 35.32 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.83 HD11 ' HD3' ' A' ' 942' ' ' ARG . 23.7 pt -134.7 148.4 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.42 109.26 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -66.61 -174.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.24 108.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.45 ' HE2' HD11 ' A' ' 940' ' ' ILE . 3.9 mmmm -58.66 -51.7 68.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 75.14 109.311 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.78 -38.69 72.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 43.51 108.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.78 36.96 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 53.52 111.057 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.5 tp60 -95.23 116.07 28.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 72.34 110.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.775 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.2 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 34.41 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.742 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -70.34 -31.92 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 74.22 108.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 167.11 -123.52 1.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 71.02 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.69 163.86 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 74.23 110.43 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 28.1 tpp -111.59 105.14 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.09 . . . . 70.14 111.006 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 972' ' ' MET . . . . . 0.602 ' SD ' ' CD1' ' A' ' 954' ' ' TYR . 1.9 mtm -81.78 172.42 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 64.1 110.971 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 955' ' ' GLN . 45.0 t -137.71 158.38 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.42 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.922 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.5 t-80 -157.47 101.79 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.02 109.572 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.8 mttp 61.7 15.34 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 74.34 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.92 1.93 34.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 73.33 110.958 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.8 OUTLIER -79.34 166.43 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 73.03 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.782 ' N ' HD13 ' A' ' 977' ' ' LEU . 0.5 OUTLIER -116.01 112.02 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.21 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -121.7 97.06 46.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.5 109.274 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.489 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.91 113.91 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 75.43 111.073 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.64 105.11 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 72.41 108.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -82.92 155.5 24.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 70.44 109.259 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 46.7 mttt -124.78 121.34 34.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 70.15 109.234 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.52 -30.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.24 109.252 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -64.19 -14.3 54.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.12 110.314 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.1 m-20 -115.68 0.41 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 62.21 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.742 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.1 m-85 -126.64 -179.37 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.31 110.957 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 988' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 998' ' ' LYS . 3.2 t -138.94 162.39 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.42 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.31 136.65 58.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 73.44 109.294 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.439 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.6 t -132.09 132.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 73.32 109.346 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.619 ' CD1' HG22 ' A' ' 903' ' ' ILE . 65.2 m-85 -96.64 135.02 39.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.03 110.997 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 992' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 994' ' ' ASN . 6.9 ttpt -85.92 -51.29 6.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 55.32 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.448 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.3 m-20 -40.83 -29.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 64.42 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 994' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 992' ' ' LYS . 1.4 t30 -145.69 126.92 14.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 74.13 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 995' ' ' SER . . . . . 0.401 ' C ' ' OG1' ' A' ' 996' ' ' THR . 1.7 m -60.66 95.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 73.52 109.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 5.1 m -155.36 160.02 40.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 72.24 110.398 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 990' ' ' VAL . 11.9 ttmt -133.72 111.74 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.22 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -105.26 150.99 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 55.34 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -127.92 110.61 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 65.44 110.282 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.465 ' C ' ' CG2' ' A' ' 984' ' ' ILE . 83.7 m-85 -101.87 -177.35 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.14 110.965 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.526 ' CA ' HG22 ' A' ' 984' ' ' ILE . 36.0 pttt -123.1 -47.45 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.45 109.301 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.546 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttm -119.89 151.44 38.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 52.01 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.693 ' HA ' HD12 ' A' ' 984' ' ' ILE . 60.7 m95 -62.72 -34.83 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 74.53 107.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.546 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -53.39 -27.28 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 70.14 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -69.68 -34.41 73.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 74.44 110.29 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -51.37 108.55 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 61.4 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.457 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 71.14 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.47 130.85 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.32 109.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 t -65.78 137.9 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 54.25 110.386 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -124.59 166.03 21.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.12 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -164.49 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 65.21 111.004 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.23 97.96 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 54.23 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.902 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -115.52 118.74 34.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.21 109.3 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.69 102.39 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.21 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.505 ' CD1' ' CD1' ' A' ' 923' ' ' ILE . 1.4 p90 -42.9 -32.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 74.41 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1017 ' ' GLU . 1.7 t -54.48 -45.49 73.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.3 110.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' 1019 ' ' CYS . 2.7 mt-10 -37.31 -52.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 74.41 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 17.3 m -58.08 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.21 108.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' 1017 ' ' GLU . 69.9 m -94.27 21.76 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 72.12 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' 1020 ' ' LEU . 0.9 OUTLIER -63.29 -42.02 99.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.15 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.77 ' CZ ' HD23 ' A' ' 977' ' ' LEU . 61.8 m-85 -90.5 16.43 8.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 73.34 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 47.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 73.2 110.008 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -118.42 18.7 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 74.04 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.43 177.37 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.32 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 74.03 109.274 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 64.53 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.982 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.02 177.91 7.97 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.554 1.818 . . . . 51.01 111.01 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.982 HD22 ' C ' ' A' ' 892' ' ' PRO . 2.6 mm? -140.85 -174.84 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 71.22 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -122.11 164.31 15.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 62.4 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 38.7 t -121.57 -76.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 71.42 110.002 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.42 ' H ' ' ND2' ' A' ' 993' ' ' ASN . 9.5 m-85 -116.26 -171.68 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 65.44 110.982 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.84 177.89 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 73.21 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 56.66 36.99 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.51 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 899' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 902' ' ' LEU . 5.9 t-20 -128.59 124.43 22.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 71.2 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.513 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 1.34 7.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 71.34 110.953 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.0 t -87.7 -24.7 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 71.35 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.818 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -91.32 -24.15 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.03 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.54 156.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 61.11 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.84 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.33 162.49 39.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 70.1 110.425 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' ' 920' ' ' ILE . 9.0 m-30 -104.13 140.76 37.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.04 111.003 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.5 OUTLIER -134.5 176.11 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.32 109.356 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.5 t -90.44 122.18 33.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.025 -0.988 . . . . 53.32 110.928 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -52.82 -60.29 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 51.24 109.308 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -45.08 -57.74 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 62.21 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -100.01 -101.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.01 108.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.7 p 154.55 41.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.4 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.06 131.24 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 72.15 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.22 107.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 63.02 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -34.76 18.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 61.45 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.967 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.12 165.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 72.35 108.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.6 ' CB ' HG23 ' A' ' 904' ' ' THR . 8.9 t -109.01 159.85 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 34.51 110.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.61 -52.86 35.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 41.23 111.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.416 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -59.33 -25.28 64.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 74.21 110.251 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 29.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.05 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.528 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.26 156.43 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 54.33 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 1.066 ' CD2' HD12 ' A' 1013 ' ' LEU . 18.7 m-70 -124.81 159.41 31.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 65.43 109.617 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 2.9 t -120.31 156.64 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.21 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 924' ' ' GLU . 4.0 mt -130.23 116.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 71.44 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 923' ' ' ILE . 1.0 OUTLIER 49.69 32.23 4.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 51.12 110.301 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.0 mptt 40.44 32.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 75.32 109.279 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.502 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 15.5 ptm -132.66 -42.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 73.41 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.502 ' N ' ' CG ' ' A' ' 926' ' ' MET . 28.5 m80 -106.08 129.23 54.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 61.1 109.569 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' 1003 ' ' TRP . 68.9 m80 -103.56 103.42 13.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.43 109.605 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 981' ' ' CYS . 4.7 m -111.56 149.7 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.4 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.13 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 64.41 109.323 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 30.7 mmm -83.92 46.75 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.53 110.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.967 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.04 126.2 31.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.21 110.378 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.472 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.93 -45.23 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 61.51 111.052 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.535 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.4 pt-20 -58.97 -28.98 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.14 110.346 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.693 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 78.4 t80 -68.53 -19.43 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 74.24 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -65.64 -17.34 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 73.1 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -105.0 4.65 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 73.51 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.59 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -110.23 -11.48 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 70.13 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -127.69 149.27 50.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.24 110.99 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.53 138.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 60.24 109.272 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.83 136.16 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 63.13 109.336 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.839 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.21 119.36 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 73.52 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -45.2 104.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.22 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.938 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.5 t-20 -155.11 129.22 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.04 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -96.72 -7.06 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 74.11 109.308 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.938 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.29 -13.08 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 73.44 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.5 mm? -100.53 -55.65 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 62.35 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.541 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER -78.43 145.88 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.21 110.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -137.8 140.41 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.41 109.302 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -60.37 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 74.42 109.282 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 951' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 11.2 t -50.32 98.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 74.41 108.298 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 178.82 179.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 51.01 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -110.31 -26.26 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 64.43 109.34 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -111.47 94.97 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 71.43 110.982 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.4 tm0? -67.23 135.67 53.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 72.42 110.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -113.32 158.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 73.31 109.293 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -104.33 -24.74 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.1 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.95 -139.7 6.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 53.32 110.983 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -125.66 133.9 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 72.4 110.306 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 941' ' ' VAL . 20.1 pt -92.75 136.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.34 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.839 HD11 ' HD3' ' A' ' 942' ' ' ARG . 15.4 pt -138.65 145.17 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 74.5 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.65 -174.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.31 108.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.684 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -60.6 -51.63 68.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 74.31 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.3 m -56.33 -35.1 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 65.13 108.261 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.88 39.26 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 72.22 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.5 tp60 -96.29 121.34 37.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 70.13 110.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.72 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.27 91.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 72.21 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.7 m0 -65.45 -39.34 91.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 73.31 108.024 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.8 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 74.35 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.42 156.53 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 73.54 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.4 tpp -102.19 100.34 10.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.43 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 972' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 2.6 mtm -82.09 166.41 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.51 110.971 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 977' ' ' LEU . 9.6 t -143.37 138.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 54.12 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.7 t-80 -127.3 101.51 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.51 109.579 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.6 mttp 59.18 21.34 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.25 109.347 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.3 12.35 29.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 72.24 111.03 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.735 ' O ' HG13 ' A' ' 973' ' ' VAL . 16.7 tp -83.59 166.19 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 72.05 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -119.26 110.03 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 75.11 109.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.62 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -139.55 98.07 8.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 72.44 109.267 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 117.42 4.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.766 . . . . 62.41 111.028 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 981' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -95.73 106.66 18.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.13 108.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -89.48 164.71 14.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 65.23 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -125.14 122.1 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 64.24 109.328 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -59.24 -19.07 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 72.14 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.78 -6.33 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.44 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 28.4 m120 -123.48 -1.64 8.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 64.1 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.9 m-85 -121.56 -176.85 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.41 110.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.02 161.81 28.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.44 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.61 123.77 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 71.4 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.1 t -113.49 121.43 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 70.44 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -90.11 119.63 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 64.43 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -85.24 -16.23 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 73.21 109.261 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.818 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.2 m-20 -99.84 -49.82 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 71.34 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -69.56 -9.87 55.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.31 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 995' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 996' ' ' THR . 69.7 p 50.97 54.32 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 61.34 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.613 HG21 ' HE3' ' A' ' 998' ' ' LYS . 25.4 m -157.79 173.94 16.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 70.33 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.632 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.8 ttmt -134.01 115.95 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.3 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.613 ' HE3' HG21 ' A' ' 996' ' ' THR . 2.4 mptm? -109.72 160.65 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 74.24 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -127.7 105.99 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 64.31 110.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.479 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 70.1 m-85 -94.14 -170.9 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.41 110.992 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.5 pttp -128.36 -47.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 73.53 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.728 ' HB3' HG12 ' A' 1004 ' ' VAL . 33.2 mttt -121.15 155.26 34.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 62.25 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 984' ' ' ILE . 25.2 m95 -66.75 -23.58 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.33 107.988 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -65.36 -28.47 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 65.01 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.88 -16.47 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 74.41 110.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.768 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -70.79 114.09 23.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 63.54 109.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.84 10.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 51.01 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.627 HG21 ' CD1' ' A' ' 903' ' ' ILE . 1.0 OUTLIER -92.41 134.0 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.3 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -69.92 158.49 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 35.24 110.386 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.768 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.0 m-85 -134.57 161.82 61.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 63.05 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -164.58 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 45.13 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -149.19 105.09 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 73.02 109.324 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1013 ' ' LEU . . . . . 1.066 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.35 123.24 43.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 62.24 109.266 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' 1015 ' ' TYR . 11.7 t0 -131.01 122.93 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.11 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' 1014 ' ' ASP . 1.2 p90 -36.5 -46.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.22 111.001 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.4 t -39.55 -50.57 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.31 110.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -38.83 -46.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 73.33 110.271 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.6 p -124.39 106.65 10.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.41 108.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.468 ' C ' HD23 ' A' 1020 ' ' LEU . 5.0 t -113.57 75.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 70.42 108.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' 1019 ' ' CYS . 4.6 mt -104.24 -39.76 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 73.32 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -38.49 -29.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 75.24 111.002 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' 1020 ' ' LEU . 19.2 t -46.63 103.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 72.53 110.016 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 30.6 t70 -119.93 -41.01 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 61.13 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.6 177.81 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 44.34 110.336 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 65.31 109.311 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.986 -0.846 . . . . 75.43 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 893' ' ' LEU . 18.2 Cg_endo -75.05 87.66 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 53.3 110.985 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 893' ' ' LEU . 0.3 OUTLIER 40.47 54.0 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 50.14 109.263 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 166.73 136.72 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 34.22 111.017 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 12.9 t -175.17 156.04 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 73.54 109.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -59.45 -173.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 71.03 110.992 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 898' ' ' ASN . 23.3 ttpp -175.56 168.17 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 60.1 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' 1007 ' ' PRO . 19.1 t-20 64.44 22.49 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 72.3 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -115.96 123.33 31.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.22 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.519 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 75.55 111.048 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 10.9 t -84.89 -26.37 27.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 71.21 109.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.956 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -88.39 -27.04 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 70.34 109.304 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -96.08 158.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.32 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.6 158.14 43.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 70.54 110.447 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.8 m-30 -99.53 139.36 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 54.43 111.031 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.78 176.37 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 65.34 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.8 t -89.21 122.81 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.971 -1.013 . . . . 75.14 110.912 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -53.35 -60.4 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.24 109.3 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -45.43 -57.01 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 73.32 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.0 m -100.64 -101.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 73.05 108.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.84 43.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 71.03 109.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.99 131.94 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.41 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -61.05 106.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.43 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.54 -34.67 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 54.41 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.42 ' SG ' ' ND2' ' A' ' 930' ' ' ASN . 1.1 p -179.24 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.23 108.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.587 ' CB ' HG23 ' A' ' 904' ' ' THR . 41.9 p -104.6 160.38 15.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.11 109.997 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 917' ' ' GLY . . . . . 0.417 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -55.41 -50.84 58.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 62.41 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -24.46 66.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 65.5 110.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -93.15 28.84 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.43 109.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.531 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -133.24 157.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.43 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.724 ' CG ' HD12 ' A' 1013 ' ' LEU . 21.4 m80 -126.24 153.71 44.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.42 109.629 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 923' ' ' ILE . 50.3 t -120.81 163.3 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 74.31 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' 1015 ' ' TYR . 2.0 mt -124.39 110.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 64.13 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 3.2 mt-10 37.3 40.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 64.41 110.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.415 ' CD ' HG11 ' A' ' 922' ' ' VAL . 12.5 mmtp 39.62 51.55 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 53.55 109.251 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 11.8 ptm -135.54 -41.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.53 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.499 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.0 m170 -128.31 145.92 50.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 73.55 109.576 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 982' ' ' LEU . 12.2 p-80 -107.33 104.59 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 61.33 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.3 m -111.89 130.12 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.41 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 915' ' ' CYS . 6.2 t-20 -95.74 95.76 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 75.41 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 49.6 mtt -84.56 46.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 71.4 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.559 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -103.66 123.99 39.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.4 110.433 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.459 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -75.02 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.552 1.817 . . . . 73.01 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.559 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -60.23 -27.2 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.23 110.341 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.844 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 81.6 t80 -70.14 -19.58 63.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.44 110.969 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.6 ptpt -65.45 -16.66 63.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.24 109.22 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.04 4.35 31.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 64.24 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.589 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 14.5 mt -109.85 -15.46 14.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.2 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.623 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -122.41 150.32 42.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.22 110.995 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.79 137.19 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 75.32 109.333 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.618 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -103.76 132.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 24.13 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.11 124.54 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 73.21 110.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -46.78 104.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 73.13 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.881 HD22 ' HB3' ' A' ' 946' ' ' ALA . 12.5 t-20 -155.37 123.08 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.22 109.294 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -93.48 -7.97 42.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.43 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.881 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.09 -12.8 42.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.32 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -102.05 -57.2 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.04 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.533 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER -76.64 146.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.41 110.294 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -133.87 176.94 8.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 65.34 109.29 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 952' ' ' ALA . 34.0 mttm -94.66 -77.25 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 73.44 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 7.5 p -50.98 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 73.31 108.268 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -178.96 179.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 65.23 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -110.42 -26.59 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 75.25 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -112.2 95.5 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 74.33 110.966 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 973' ' ' VAL . 11.2 tm0? -67.24 134.21 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.43 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.533 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -108.71 158.74 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 64.42 109.328 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -102.99 -25.77 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.21 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.35 -137.5 4.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 22.41 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.93 138.39 54.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 72.31 110.302 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.577 HG22 HG23 ' A' ' 941' ' ' VAL . 7.9 pt -97.67 134.22 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 71.02 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.84 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -137.68 148.21 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 73.11 109.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.05 -174.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 64.34 108.283 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -62.14 -51.77 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 55.23 109.317 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.8 m -55.08 -34.48 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 65.41 108.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.5 37.73 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 41.01 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.5 tp60 -95.98 121.29 37.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 0.798 . . . . 74.34 110.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.59 92.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 70.14 109.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 7.2 m0 -65.63 -38.72 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.01 107.999 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.469 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 170.95 -117.89 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 72.01 111.017 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.448 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -152.63 164.64 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 42.22 110.438 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.569 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 26.4 tpp -109.88 96.41 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.24 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 28.7 mtp -82.09 153.64 25.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 74.2 110.996 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.0 t -124.0 147.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.52 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.765 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -138.46 101.38 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.02 109.585 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 60.63 22.37 12.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.42 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.55 1.37 50.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 73.23 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.721 ' O ' HG13 ' A' ' 973' ' ' VAL . 9.2 tp -79.39 166.66 21.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 75.41 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -116.02 114.54 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 74.12 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -133.7 96.55 16.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.31 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.569 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.96 121.32 6.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 72.12 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 981' ' ' CYS . . . . . 0.567 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -98.43 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 51.15 108.359 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.844 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -97.17 145.71 25.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 75.44 109.26 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -109.28 126.88 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 71.55 109.271 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -58.93 -26.57 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 74.33 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 6.3 ptt180 -66.3 -7.89 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.43 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 18.4 m120 -117.96 -5.83 11.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 74.33 109.264 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.2 m-85 -121.86 -175.93 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 72.11 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.33 162.18 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.11 109.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -119.89 124.18 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.41 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.89 116.35 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 62.4 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.03 118.2 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 54.04 110.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 992' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' A' ' 992' ' ' LYS . 8.8 mtmp? -86.16 -16.73 36.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 61.35 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.956 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.88 -44.77 5.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 75.54 109.269 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -77.59 -0.95 28.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.04 109.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 43.14 55.89 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 64.35 109.963 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 997' ' ' LYS . 16.9 m -157.51 174.36 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 62.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.633 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.9 ttmt -134.16 116.99 16.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 54.44 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.479 ' HE3' HG21 ' A' ' 996' ' ' THR . 0.5 OUTLIER -113.37 151.79 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 73.35 109.249 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -118.29 104.89 11.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.23 110.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.491 ' CB ' HG21 ' A' ' 984' ' ' ILE . 59.2 m-85 -92.01 -174.47 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 75.05 111.002 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.536 ' CA ' HG22 ' A' ' 984' ' ' ILE . 10.5 pttt -124.58 -48.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.53 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.504 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.75 159.53 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 64.45 109.278 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.658 ' HA ' HD12 ' A' ' 984' ' ' ILE . 48.0 m95 -71.0 -16.76 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.51 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.4 p -72.74 -32.9 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.11 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.12 -19.49 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.23 110.328 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.55 116.58 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 75.33 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.472 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 60.32 111.059 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.468 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -87.01 133.14 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.41 109.259 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -80.58 121.7 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.42 110.43 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.717 ' CE1' HD23 ' A' 1006 ' ' LEU . 8.9 m-85 -93.57 165.63 17.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.01 110.995 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1011 ' ' PRO . . . . . 0.45 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.96 -163.39 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.787 . . . . 74.14 111.014 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1012 ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' 1011 ' ' PRO . 3.4 m-80 -149.2 102.82 3.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 53.32 109.335 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.724 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -114.63 118.34 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 52.25 109.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -100.73 -179.75 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 72.25 109.269 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.712 ' CE1' HD11 ' A' ' 923' ' ' ILE . 19.4 m-85 -87.36 -29.11 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 70.3 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 6.9 t -40.1 -35.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 60.1 109.996 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.31 -49.87 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.21 110.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1018 ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.9 m -94.29 89.61 5.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 62.42 108.313 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 4.4 m -113.89 39.16 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 71.25 108.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.756 HD13 ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -81.91 -55.6 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 54.14 109.326 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.75 -13.37 22.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 73.34 111.012 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 12.8 t -68.17 102.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 72.42 109.988 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -134.6 22.01 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 75.32 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.93 178.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 64.13 110.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 62.13 109.331 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.022 -0.831 . . . . 24.32 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.51 ' O ' HD23 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.01 125.48 9.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.812 . . . . 75.32 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 892' ' ' PRO . 6.2 mt -113.33 164.88 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.13 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.67 134.47 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 72.24 111.044 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 3.9 m -175.51 -175.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 73.1 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.0 -62.88 1.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 73.52 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.415 ' HG2' ' ND2' ' A' ' 993' ' ' ASN . 11.3 mtmt 50.99 22.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 54.24 109.267 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -86.46 55.34 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 55.12 109.352 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -144.71 130.03 9.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 73.43 109.249 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.483 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.02 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 70.33 110.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.02 -26.47 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 71.51 110.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.509 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.81 -27.97 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 72.43 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.503 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.5 OUTLIER -95.93 156.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.15 109.305 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.877 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.47 161.99 40.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.02 110.424 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.626 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.3 m-30 -99.23 139.37 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 75.23 111.002 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.4 mt -133.92 173.56 11.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 54.22 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.6 t -92.25 114.5 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.003 -0.999 . . . . 64.32 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -46.71 -58.96 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.23 109.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 909' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.7 m-20 -46.9 -58.38 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 72.33 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 911' ' ' SER . 70.8 m -99.12 -102.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 52.41 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.1 m 156.89 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 74.43 110.02 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -95.55 135.07 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.44 109.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.877 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.61 108.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 61.53 109.258 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.82 -35.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 63.21 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -176.62 162.99 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.54 108.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 904' ' ' THR . 42.8 p -109.7 158.84 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 53.15 110.007 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.6 -54.7 28.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.15 . . . . 70.33 110.989 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 8.1 pt-20 -52.71 -28.86 23.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 72.34 110.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 5.8 t0 -93.19 29.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.04 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.6 mm -133.09 149.98 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.44 109.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.913 ' CD2' HD12 ' A' 1013 ' ' LEU . 53.3 m-70 -121.15 158.55 27.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 64.43 109.62 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 923' ' ' ILE . 75.6 t -122.48 162.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 64.21 109.294 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' 1015 ' ' TYR . 3.7 mm -122.28 109.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 54.22 109.256 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.417 ' HG2' HG23 ' A' ' 923' ' ' ILE . 3.6 pt-20 37.92 40.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.55 110.297 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.435 ' CE ' ' OD1' ' A' 1012 ' ' ASN . 11.0 mmtp 40.94 51.39 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 54.44 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.498 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 10.2 ptm -134.41 -40.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 53.51 111.036 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.498 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.1 m170 -130.88 156.33 45.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 64.53 109.567 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.647 ' CD2' ' NE1' ' A' 1003 ' ' TRP . 3.3 p-80 -115.2 107.16 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 75.15 109.598 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.36 132.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 64.42 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 5.6 t-20 -98.47 95.95 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 70.53 109.282 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 22.7 mmm -83.14 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 60.53 110.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.435 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -107.91 121.97 42.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 64.51 110.359 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.0 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 72.52 111.019 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.4 pt-20 -55.7 -32.97 63.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.34 110.297 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.36 -22.81 61.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.04 110.989 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.3 ptpt -64.35 -15.86 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 74.21 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -105.15 4.28 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.44 110.344 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.403 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 12.4 mt -111.57 -22.89 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 74.34 109.26 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.732 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -120.17 151.73 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 74.33 110.974 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.57 137.44 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 73.1 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.732 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -95.47 134.63 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 63.52 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.649 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -112.98 121.05 43.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.31 110.292 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -46.39 104.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 44.24 110.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.985 HD22 ' HB3' ' A' ' 946' ' ' ALA . 8.9 t-20 -155.71 115.83 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 54.22 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -86.7 -7.72 58.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 54.45 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.985 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.96 -14.5 48.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 70.01 109.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.5 mm? -104.53 -58.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 63.31 109.277 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.501 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER -76.79 146.38 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.33 110.268 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -137.03 -173.2 3.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 73.23 109.329 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -104.84 -82.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 62.03 109.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 951' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 71.5 m -46.03 102.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.31 108.285 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 176.57 -177.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 75.44 109.291 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -110.79 -26.89 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 65.45 109.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -112.87 96.63 6.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 63.32 111.031 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 973' ' ' VAL . 12.4 tp60 -66.96 137.63 56.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 74.1 110.342 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.25 157.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 75.1 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -102.18 -25.82 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 63.22 109.315 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.0 -141.18 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 62.11 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -126.11 128.71 47.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 75.43 110.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.475 HG22 ' CE1' ' A' ' 939' ' ' TYR . 10.7 pt -84.72 134.51 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 75.43 109.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.815 HG22 ' HA ' ' A' ' 967' ' ' ALA . 26.7 pt -136.6 145.42 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 55.11 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.38 -175.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.12 108.299 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -61.05 -51.34 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 74.01 109.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.5 m -54.84 -36.38 64.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 64.14 108.265 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.3 37.38 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 51.43 110.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 23.2 tp60 -98.27 122.26 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 62.14 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.815 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.5 101.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.32 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.608 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -76.04 -34.66 59.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.04 108.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.65 -124.57 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 73.11 110.993 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.74 153.91 36.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 63.22 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.5 tpp -98.08 92.67 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.02 110.998 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.0 mtp -81.88 148.35 28.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 73.32 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 977' ' ' LEU . 7.9 t -120.38 150.35 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 62.45 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.752 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.68 97.71 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 64.13 109.578 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 26.4 mttm 60.8 23.44 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.23 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.43 -0.71 43.15 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 73.42 110.948 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 973' ' ' VAL . 7.6 tp -79.27 166.76 21.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 71.5 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -115.08 118.21 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.45 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -139.46 96.75 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.32 109.291 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 123.61 7.98 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 74.3 111.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.38 104.96 15.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 61.34 108.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.3 OUTLIER -78.67 165.13 23.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.41 109.276 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 73.0 mttt -130.74 116.42 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.51 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.3 mt -58.49 -19.45 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 63.43 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.3 OUTLIER -72.57 -5.46 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 63.14 110.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 17.0 m120 -128.42 3.01 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 62.51 109.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.608 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 22.6 m-85 -123.85 -175.77 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.4 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.02 154.64 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.13 109.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.69 116.5 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 73.02 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.465 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.8 t -114.98 121.46 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 64.12 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -78.11 137.71 38.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.4 110.988 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -85.64 -34.47 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.01 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.509 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.1 m-20 -40.79 -53.49 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.31 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -143.56 158.56 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 75.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 84.2 p -62.06 92.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 73.35 109.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.545 HG22 ' NZ ' ' A' ' 998' ' ' LYS . 2.6 m -147.75 142.94 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.33 110.395 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -125.29 108.85 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 61.1 109.288 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.545 ' NZ ' HG22 ' A' ' 996' ' ' THR . 5.2 mptt -104.89 129.72 53.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 75.44 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -110.97 109.8 20.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.23 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.467 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.8 m-85 -102.53 -172.13 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 72.4 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 16.6 pttm -126.44 -44.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.03 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.723 ' HB3' HG12 ' A' 1004 ' ' VAL . 27.7 mttm -119.97 155.62 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 71.53 109.323 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.787 ' HA ' HD12 ' A' ' 984' ' ' ILE . 32.1 m95 -71.42 -17.19 62.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 73.34 108.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -67.47 -26.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.45 109.269 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.34 -33.82 69.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 64.45 110.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.653 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -52.11 107.5 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.01 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 64.44 110.993 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.503 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -89.62 130.04 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 74.43 109.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.1 t -67.32 146.01 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.45 110.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.653 ' CE1' HD23 ' A' 1006 ' ' LEU . 4.3 m-85 -123.9 162.6 40.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.12 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.82 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 71.34 110.987 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1012 ' ' ASN . . . . . 0.435 ' OD1' ' CE ' ' A' ' 925' ' ' LYS . 5.3 m-80 -149.26 105.84 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.087 . . . . 73.23 109.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.913 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.83 124.35 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 64.12 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.448 ' HA ' HD13 ' A' ' 923' ' ' ILE . 9.2 t0 -107.79 167.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 63.55 109.296 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.583 ' CE1' HD11 ' A' ' 923' ' ' ILE . 5.2 m-85 -88.79 -39.24 14.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 64.14 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.8 t -57.91 -16.97 13.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 61.12 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -43.52 -49.3 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 73.24 110.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.4 t -142.86 179.36 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 52.25 108.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 48.8 t -84.75 65.87 9.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 74.4 108.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.468 HD13 ' OE2' ' A' 1024 ' ' GLU . 1.9 mm? -58.34 -17.43 19.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 63.04 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.75 -8.39 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.04 111.041 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' 1024 ' ' GLU . 0.4 OUTLIER -86.77 46.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 64.14 109.997 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 2.6 t70 45.5 26.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 50.11 109.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1024 ' ' GLU . . . . . 0.468 ' OE2' HD13 ' A' 1020 ' ' LEU . 63.5 mt-10 -55.95 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 74.42 110.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.12 109.321 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.981 -0.848 . . . . 25.05 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.757 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -75.03 -170.1 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 54.31 111.013 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.757 HD22 ' C ' ' A' ' 892' ' ' PRO . 3.3 mm? -139.39 -175.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 65.24 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -110.89 169.42 13.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 72.24 110.988 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.3 t -124.93 -64.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 75.23 109.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.519 ' O ' ' ND2' ' A' ' 993' ' ' ASN . 9.9 m-30 -45.92 172.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 70.11 111.029 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -174.64 157.25 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.45 109.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.5 t-20 70.46 29.0 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 74.04 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -119.48 129.51 25.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 52.44 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.485 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.07 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 71.4 111.016 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -84.07 -24.98 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 72.54 109.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.507 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.51 -28.18 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 73.03 109.304 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -95.91 155.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 61.04 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.867 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -146.44 158.87 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 75.21 110.413 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.36 139.37 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.24 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.8 OUTLIER -133.64 177.37 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 63.42 109.308 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -92.65 121.28 33.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.069 -0.968 . . . . 74.03 110.942 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -51.82 -61.38 2.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.34 109.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -44.8 -58.51 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.31 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 911' ' ' SER . 74.1 m -98.51 -102.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.4 108.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.4 p 154.99 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.14 110.022 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.67 133.73 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 64.01 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.867 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.87 106.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.12 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.67 -35.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.04 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 54.22 108.319 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 19.0 t -103.99 163.54 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 73.24 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -62.5 -42.44 99.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 65.45 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 5.9 pt-20 -62.87 -28.07 69.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 75.04 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.8 t0 -94.28 30.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 63.52 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.8 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.1 mm -133.5 149.33 31.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 65.11 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.457 ' CD2' HD12 ' A' 1013 ' ' LEU . 52.3 m80 -113.9 174.06 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.41 109.624 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.3 t -135.22 157.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 74.03 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.527 HD13 ' HA ' ' A' 1014 ' ' ASP . 1.9 mm -132.95 111.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 55.31 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 53.24 24.06 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.14 110.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 49.23 26.5 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 64.41 109.261 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.459 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.0 ptp -123.96 -39.78 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 32.44 110.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.459 ' N ' ' CG ' ' A' ' 926' ' ' MET . 27.3 m170 -111.03 133.35 53.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 61.14 109.576 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' 1003 ' ' TRP . 4.9 m-70 -105.25 103.9 13.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.33 109.654 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.408 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.2 m -107.53 150.16 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.24 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.0 t30 -119.23 96.78 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 51.42 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.4 mmt -82.65 47.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.44 111.033 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.602 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.71 123.63 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 72.3 110.362 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.471 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -75.0 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 44.34 110.976 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.7 -33.73 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.32 110.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.637 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 76.6 t80 -62.47 -18.35 61.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 73.43 110.947 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.9 ptpt -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.34 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -103.55 4.2 35.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.42 110.352 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.463 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.8 mt -111.59 -18.45 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 65.32 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -121.51 149.18 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.34 111.011 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.0 137.38 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.22 109.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.639 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -102.37 125.9 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 54.31 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -97.46 139.25 33.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.23 110.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.32 104.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.1 110.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.94 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.5 t-20 -157.59 129.3 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 65.55 109.292 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -96.71 -6.49 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 74.32 109.329 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.94 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -65.11 -12.86 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 34.51 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.6 mm? -101.82 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.23 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.524 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER -79.76 146.82 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.44 110.363 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -135.17 175.25 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.23 109.297 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 952' ' ' ALA . 34.3 mttt -94.15 -78.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 64.15 109.292 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.12 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.23 108.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.6 179.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.5 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -110.67 -25.74 9.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 62.42 109.273 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -112.52 95.81 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 72.14 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tm0? -66.97 135.85 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 72.12 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -112.21 159.2 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.51 109.258 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -103.55 -25.6 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.25 109.296 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.28 -138.17 5.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 74.24 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.19 131.19 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 71.14 110.291 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 939' ' ' TYR . 8.8 pt -86.31 137.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 73.45 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.742 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.2 pt -139.47 143.96 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.33 109.303 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.96 -174.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 72.24 108.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.5 mmmm -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 75.22 109.291 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -56.14 -34.82 66.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 72.12 108.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.86 37.5 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 74.42 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.0 tp60 -96.73 120.27 36.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 74.33 110.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.742 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.72 99.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 63.35 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.1 m0 -73.65 -28.24 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 73.32 107.977 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.554 ' O ' HG23 ' A' ' 970' ' ' THR . . . 162.93 -116.07 0.69 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 75.12 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -155.74 163.14 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 72.23 110.406 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.539 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -108.94 96.19 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 72.24 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.3 mtp -82.09 154.92 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.32 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 977' ' ' LEU . 13.9 t -127.98 147.56 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.42 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -136.92 101.86 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 62.24 109.58 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 22.7 mttm 63.0 17.42 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 74.12 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.19 3.11 35.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 60.12 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.91 HD13 ' CZ ' ' A' 1021 ' ' PHE . 19.0 tp -79.31 167.34 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 64.04 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.984 ' C ' HD23 ' A' ' 979' ' ' LEU . 13.1 m-20 -117.03 114.57 23.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.52 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.984 HD23 ' C ' ' A' ' 978' ' ' ASP . 0.0 OUTLIER -134.39 97.16 14.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 75.41 109.263 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.539 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.99 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.46 1.768 . . . . 54.02 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 981' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -97.76 106.77 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 61.02 108.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.637 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -86.22 173.72 9.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.2 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -132.8 122.88 25.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 65.11 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -60.19 -19.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 64.31 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.61 -11.98 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.34 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 23.2 m120 -117.97 -4.46 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 75.02 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.2 m-85 -117.14 -176.72 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.33 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.0 159.44 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 74.04 109.33 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' 1006 ' ' LEU . 2.5 t -122.11 118.86 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.24 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.5 t -116.64 120.54 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 55.25 109.252 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.41 ' CD2' HG22 ' A' ' 903' ' ' ILE . 71.8 m-85 -80.8 137.32 36.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.32 111.023 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 992' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 902' ' ' LEU . 14.4 ttmt -85.76 -35.85 20.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 61.41 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 896' ' ' TYR . 3.3 m-20 -40.65 -54.73 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 73.41 109.31 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.73 154.07 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 75.34 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 32.3 t -65.69 87.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 71.24 109.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.447 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 2.2 m -145.47 154.48 42.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 62.12 110.381 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -133.39 113.61 12.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 72.54 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.447 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.2 OUTLIER -109.29 141.78 41.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 65.15 109.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -117.2 111.08 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 61.42 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.478 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 60.9 m-85 -101.01 -170.94 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 71.55 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.567 ' CA ' HG22 ' A' ' 984' ' ' ILE . 40.5 pttt -130.99 -45.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.21 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.654 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.4 mmtp -117.66 148.9 41.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 72.43 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.742 ' HA ' HD12 ' A' ' 984' ' ' ILE . 54.8 m95 -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.32 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.654 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.1 p -56.98 -32.03 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 55.21 109.285 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.09 -23.41 67.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.43 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.1 tp -60.79 118.45 35.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 71.23 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 74.23 111.011 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.49 128.32 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 55.33 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -67.92 140.79 56.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 54.35 110.415 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.882 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -116.85 165.07 16.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.44 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 75.24 110.957 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -149.25 105.48 3.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 61.23 109.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.02 123.89 47.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 71.43 109.305 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.527 ' HA ' HD13 ' A' ' 923' ' ' ILE . 0.5 OUTLIER -109.76 177.38 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.34 109.31 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.45 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 15.7 m-85 -89.02 -26.82 21.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 1.121 . . . . 71.24 110.959 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.1 t -39.15 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 72.24 110.026 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' 1015 ' ' TYR . 5.6 mm-40 -51.91 -51.3 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 51.41 110.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.6 p -125.84 107.79 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 72.4 108.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.677 ' C ' HD23 ' A' 1020 ' ' LEU . 3.6 m -114.95 49.94 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 64.2 108.336 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.677 HD23 ' C ' ' A' 1019 ' ' CYS . 0.7 OUTLIER -103.49 -44.62 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 74.22 109.306 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.91 ' CZ ' HD13 ' A' ' 977' ' ' LEU . 27.1 m-85 -39.15 -29.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.12 111.009 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' 1020 ' ' LEU . 33.0 t -39.34 113.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 62.23 109.954 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 43.3 t0 -124.31 -45.16 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 72.34 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.31 171.64 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 61.44 110.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 74.31 109.292 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.023 -0.831 . . . . 43.45 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.659 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -74.98 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 44.35 110.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.659 HD22 ' C ' ' A' ' 892' ' ' PRO . 3.0 mm? -131.96 -74.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 72.23 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 153.99 127.88 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.442 1.088 . . . . 44.32 110.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 1.9 t -175.61 164.97 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 64.32 109.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.45 167.66 20.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 54.54 111.002 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.527 ' O ' HD11 ' A' 1008 ' ' ILE . 16.2 mtmm -134.57 22.53 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 73.2 109.265 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.1 t-20 -91.95 21.85 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 72.24 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -109.83 127.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 55.1 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.518 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 71.02 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 4.5 t -84.86 -24.54 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 54.23 110.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.497 HD13 ' OD1' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -89.22 -26.36 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 74.24 109.276 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -97.31 157.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 71.35 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.85 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -149.38 163.63 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.44 110.416 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.8 m-30 -100.47 136.61 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.23 111.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 990' ' ' VAL . 1.1 mt -135.49 158.3 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 64.14 109.244 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 44.5 t -75.44 121.47 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 74.44 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -52.55 -60.09 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 73.34 109.284 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.4 m-20 -43.89 -58.91 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 74.44 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.6 m -98.49 -101.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 51.21 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.5 p 155.71 42.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.22 110.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.96 135.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.32 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.85 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.52 108.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.13 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.49 ' HB3' ' HE1' ' A' ' 987' ' ' PHE . . . -89.05 -34.89 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.44 109.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.78 164.38 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 24.51 108.281 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.572 ' CB ' HG23 ' A' ' 904' ' ' THR . 69.6 p -111.21 157.2 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 64.32 110.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.96 45.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 55.23 110.962 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 1.7 pp20? -56.88 -27.0 60.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 71.34 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.21 30.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 70.23 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.8 mm -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 71.01 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.509 ' CG ' HD12 ' A' 1013 ' ' LEU . 95.8 m-70 -122.21 171.21 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 73.33 109.612 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.6 t -129.42 157.86 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.41 109.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.641 HD11 ' CE1' ' A' 1015 ' ' TYR . 2.2 mm -132.64 114.8 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 74.54 109.269 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.48 25.95 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 73.21 110.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 45.64 30.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 72.53 109.333 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 15.5 ptm -126.4 -41.09 1.91 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 75.2 110.958 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.476 ' N ' ' CG ' ' A' ' 926' ' ' MET . 29.4 m170 -115.58 144.98 43.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.33 109.6 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -112.35 111.43 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 73.12 109.597 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 929' ' ' VAL . . . . . 0.477 HG11 ' OH ' ' A' 1015 ' ' TYR . 4.4 m -113.48 135.48 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 64.11 109.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 6.0 t-20 -101.46 95.34 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 71.4 109.315 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 26.2 mtt -85.66 47.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 64.02 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.608 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -105.34 123.87 38.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 64.31 110.372 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 73.5 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.608 ' HG2' HG22 ' A' ' 932' ' ' THR . 15.3 pt-20 -56.12 -34.02 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.42 110.267 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -59.34 -21.37 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 75.52 111.037 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.555 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.8 ptpt -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 75.22 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -104.96 2.3 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.31 110.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 914' ' ' ALA . 18.0 mt -109.07 -25.38 10.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.12 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.3 OUTLIER -118.98 152.75 35.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.4 110.952 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 963' ' ' LYS . 1.4 mt -125.71 135.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 75.11 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -98.35 135.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 65.01 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.87 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -112.64 117.34 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 75.03 110.351 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -43.98 104.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 73.24 110.263 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.895 HD22 ' HB3' ' A' ' 946' ' ' ALA . 12.0 t-20 -153.01 123.16 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 72.04 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -7.82 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.22 109.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.895 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.68 -13.21 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 61.42 109.336 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.5 mm? -102.2 -57.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.43 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER -74.74 146.2 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 71.23 110.326 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -135.03 -179.22 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.23 109.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -97.22 -82.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 70.24 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 951' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 86.0 m -46.29 103.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 70.24 108.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 175.42 179.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.21 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.01 -25.77 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 72.3 109.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -112.78 95.95 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.12 110.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 973' ' ' VAL . 8.3 tm0? -67.25 137.24 56.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 51.54 110.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -111.79 158.39 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 75.42 109.27 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -103.79 -25.51 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 61.41 109.314 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.33 -139.96 6.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 71.42 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.87 141.19 51.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 71.45 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.435 HG22 HG23 ' A' ' 941' ' ' VAL . 9.3 pt -99.14 135.28 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.43 109.324 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.87 HD11 ' HD3' ' A' ' 942' ' ' ARG . 24.7 pt -137.64 146.71 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 74.15 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.81 -177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.15 108.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.604 ' HD2' HD11 ' A' ' 940' ' ' ILE . 5.7 mmtt -62.55 -48.98 77.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.3 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.3 m -56.51 -31.1 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 74.25 108.303 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 108.94 41.95 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 41.35 111.047 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 16.7 tp60 -106.15 122.54 46.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 62.22 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.832 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.78 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 51.21 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.3 m0 -82.22 -27.26 32.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.21 108.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.43 -117.43 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 62.14 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -156.49 172.73 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 74.23 110.427 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.4 tpp -116.51 93.83 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 73.13 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.2 mtp -81.82 153.46 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 63.11 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -124.86 150.5 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.41 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.0 t-80 -143.13 102.28 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 72.31 109.64 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 28.5 mttt 65.65 21.38 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 73.35 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.88 -0.75 57.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 63.34 110.973 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.64 161.34 25.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 75.34 109.292 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.859 ' H ' HD13 ' A' ' 977' ' ' LEU . 73.3 m-20 -105.82 114.8 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 52.01 109.322 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.703 HD22 ' CZ ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -137.31 97.74 10.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 72.53 109.307 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.488 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.04 146.36 32.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.538 1.809 . . . . 65.35 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.96 101.84 7.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 72.13 108.274 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.496 ' N ' HD13 ' A' ' 982' ' ' LEU . 0.2 OUTLIER -74.12 168.0 20.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 71.02 109.278 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 21.3 mttm -131.72 118.25 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 75.23 109.312 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -61.43 -19.69 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 53.31 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 3.4 ptm180 -71.97 -13.48 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 71.34 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 64.9 m-20 -119.95 -1.19 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 71.41 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 914' ' ' ALA . 6.6 m-85 -116.52 -176.23 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 70.53 111.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.5 155.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 73.52 109.302 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.78 121.1 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 54.13 109.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.62 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.2 t -116.49 117.15 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.35 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.17 135.38 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 62.53 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -85.7 -39.74 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 65.31 109.273 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.497 ' OD1' HD13 ' A' ' 902' ' ' LEU . 3.2 m-20 -40.59 -55.24 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 55.24 109.33 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -133.0 148.29 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 71.51 109.267 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 36.4 t -63.05 93.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 72.15 109.956 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.634 HG22 ' HZ2' ' A' ' 998' ' ' LYS . 3.5 m -153.37 156.68 38.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 74.51 110.426 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.459 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.2 ttpp -133.48 112.22 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 74.33 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.634 ' HZ2' HG22 ' A' ' 996' ' ' THR . 3.6 mptt -104.99 129.26 53.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 51.21 109.321 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -109.45 108.46 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 63.21 110.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.475 ' CB ' HG21 ' A' ' 984' ' ' ILE . 89.8 m-85 -99.14 -171.21 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 64.42 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.562 ' CA ' HG22 ' A' ' 984' ' ' ILE . 13.8 pttp -128.52 -45.24 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 74.43 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.746 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.1 mmtp -117.63 150.65 38.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 53.12 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 52.7 m95 -67.31 -21.32 65.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.993 -1.114 . . . . 72.43 107.993 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.746 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -69.45 -25.69 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 60.15 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.41 -20.14 62.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.04 110.356 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1006 ' ' LEU . 6.2 tp -69.77 113.8 20.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.41 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.48 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.1 Cg_endo -75.01 1.18 8.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 61.42 111.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 897' ' ' LYS . 1.1 mp -86.91 133.11 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.15 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.7 m -78.85 132.21 36.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.32 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -108.7 165.78 12.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 54.52 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 62.13 111.024 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -148.74 107.84 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 72.53 109.279 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.509 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -121.17 118.93 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 73.11 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.49 169.49 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 70.11 109.348 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.703 ' CZ ' HD22 ' A' ' 979' ' ' LEU . 20.4 m-85 -89.06 -31.85 17.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 74.11 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -30.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 73.13 109.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' 1015 ' ' TYR . 36.2 mm-40 -60.69 -51.16 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 72.5 110.307 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1018 ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' 1020 ' ' LEU . 3.6 m -97.08 90.03 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 72.21 108.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.429 ' C ' HD13 ' A' 1020 ' ' LEU . 28.3 p -107.91 34.78 3.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 63.33 108.323 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' 1020 ' ' LEU . 0.0 OUTLIER -83.7 -44.88 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.13 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.565 ' CD1' HD23 ' A' ' 977' ' ' LEU . 70.6 m-85 -87.71 18.43 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 72.32 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 3.4 t -88.56 98.72 11.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 43.25 110.0 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.48 93.51 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.24 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -81.11 -178.37 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.1 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 63.23 109.281 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.99 -0.844 . . . . 61.41 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.817 ' O ' HD22 ' A' ' 893' ' ' LEU . 18.5 Cg_endo -74.93 149.7 37.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 70.31 111.026 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.817 HD22 ' O ' ' A' ' 892' ' ' PRO . 2.4 mm? -147.69 161.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 73.21 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 138.89 150.19 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 60.42 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 2.7 p -175.86 175.1 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 54.31 110.006 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.48 ' O ' ' ND2' ' A' ' 993' ' ' ASN . 29.9 m-85 -60.45 -175.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.41 111.006 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -151.67 165.27 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 65.03 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 56.92 55.92 5.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.13 109.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 126.85 12.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 53.23 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.95 0.91 8.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 62.25 111.039 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.7 t -85.6 -26.07 26.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 75.31 109.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.507 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -86.77 -25.46 24.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 63.32 109.301 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -99.69 153.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.32 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.855 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.6 158.93 43.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 61.52 110.414 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.49 137.89 38.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 74.33 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -132.87 176.84 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.34 109.329 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.1 t -91.47 117.79 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.021 -0.991 . . . . 62.11 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -49.34 -59.07 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 71.43 109.303 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -45.71 -61.2 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 73.33 109.301 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 911' ' ' SER . 82.0 m -95.93 -100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.41 108.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.2 t 154.26 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 54.41 110.0 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.17 133.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.24 109.272 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 107.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 74.23 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.589 ' HA ' HD13 ' A' ' 938' ' ' LEU . . . -86.88 -35.67 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.41 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -178.16 163.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 65.33 108.359 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.679 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.96 156.06 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 44.15 109.992 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.52 -47.7 36.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 25.41 110.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 6.8 pt-20 -60.95 -26.84 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 75.01 110.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 919' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.5 t0 -93.27 28.77 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 73.52 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.544 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.23 157.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 62.31 109.264 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.904 ' ND1' HD12 ' A' 1013 ' ' LEU . 19.2 m80 -120.54 168.85 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.03 109.617 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 23.1 t -130.67 163.82 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.23 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.632 ' CD1' ' CZ ' ' A' 1015 ' ' TYR . 2.6 mm -128.0 103.69 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 71.21 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 923' ' ' ILE . 4.9 pt-20 37.38 41.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 73.34 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.436 ' CD ' HG11 ' A' ' 922' ' ' VAL . 6.4 mmtp 40.1 51.52 2.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 72.15 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.489 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 11.4 ptm -131.63 -40.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 64.25 111.061 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 926' ' ' MET . 16.9 m170 -130.67 178.31 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 73.3 109.586 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.553 ' ND1' ' CD1' ' A' 1003 ' ' TRP . 7.7 p-80 -134.41 105.51 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 61.01 109.603 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.94 128.53 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 52.34 109.363 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -95.77 95.79 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.43 109.275 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.9 mmt -85.93 47.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.11 110.976 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.7 OUTLIER -104.72 125.28 34.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 63.53 110.413 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.2 Cg_endo -74.94 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 75.5 110.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -34.53 71.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 75.14 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 69.5 t80 -61.25 -18.73 59.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 54.01 110.997 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.2 ptpt -67.78 -16.38 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 52.24 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.68 0.55 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 74.32 110.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 914' ' ' ALA . 8.0 mt -107.39 -25.79 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 72.33 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -114.48 149.42 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 72.23 110.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.7 137.3 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.22 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -99.04 134.65 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.33 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.926 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -114.9 131.66 56.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.13 110.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.69 104.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 65.33 110.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.919 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.7 t-20 -152.92 128.46 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 72.22 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -96.65 -7.32 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.04 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.919 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -64.13 -12.88 43.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 53.01 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.27 -75.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.42 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.537 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 2.9 pp0? -52.11 148.63 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 62.43 110.279 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.443 ' NZ ' ' CB ' ' A' ' 949' ' ' LYS . 2.3 mtmp? -135.25 9.59 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 71.15 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 67.95 57.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.41 109.261 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.59 125.5 35.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.25 108.318 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.79 -37.81 79.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 70.42 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -44.65 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 74.33 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 954' ' ' TYR . . . . . 0.571 ' CD1' ' HE3' ' A' ' 972' ' ' MET . 37.3 m-85 -138.66 85.94 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 74.05 111.04 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.615 ' O ' HG23 ' A' ' 973' ' ' VAL . 19.9 tp60 -67.32 125.12 25.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 75.3 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -103.36 153.96 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 75.01 109.29 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -113.83 -15.64 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 74.54 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.428 ' H ' HG22 ' A' ' 956' ' ' ILE . . . 159.97 -140.84 7.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 71.41 110.986 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.29 146.84 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 51.41 110.298 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.513 HG22 HG23 ' A' ' 941' ' ' VAL . 10.9 pt -102.49 134.13 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 75.13 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.926 HD11 ' HD3' ' A' ' 942' ' ' ARG . 27.3 pt -138.22 145.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.51 109.29 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.3 -174.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.262 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -61.16 -51.38 69.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 65.53 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.0 m -56.02 -35.1 66.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 24.53 108.257 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.64 39.4 1.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 41.22 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 28.3 tp60 -97.83 119.89 37.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 54.04 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.811 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.65 95.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.33 109.267 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.655 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.1 m0 -71.31 -30.68 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.41 107.972 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.82 -122.27 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 71.41 111.018 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.09 153.66 36.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 65.33 110.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 20.5 tpp -97.27 90.98 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 73.23 111.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 972' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 954' ' ' TYR . 12.8 mtp -82.65 156.0 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.32 110.975 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.3 t -124.68 148.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 74.44 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.724 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.5 t-80 -137.83 104.23 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.0 109.584 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 9.0 mmtm 61.91 21.28 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.4 109.259 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 101.22 -2.54 54.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 73.03 110.974 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.32 166.9 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 64.11 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.731 ' N ' HD23 ' A' ' 977' ' ' LEU . 13.5 p-10 -109.97 115.41 29.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.53 109.258 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -132.3 96.56 19.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.53 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.02 117.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 75.32 110.981 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.79 103.81 15.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.54 108.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.8 OUTLIER -84.2 169.12 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 64.35 109.314 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -131.54 121.83 25.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 74.21 109.289 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.57 -21.11 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.05 109.284 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -71.0 -6.48 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 54.22 110.292 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 22.7 m120 -124.13 -1.5 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 71.33 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.655 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 27.5 m-85 -121.22 -176.2 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.52 110.985 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.37 159.09 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.11 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.88 114.58 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 72.45 109.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -114.06 123.62 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 74.41 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 903' ' ' ILE . 62.5 m-85 -80.5 139.06 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 62.12 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 992' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 902' ' ' LEU . 24.9 ttpp -85.96 -36.5 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 73.54 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.507 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.4 m-20 -41.02 -55.19 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 72.55 109.301 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.53 155.16 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.44 109.343 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 1.2 p -66.76 87.67 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 73.12 110.041 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.487 HG22 ' HE3' ' A' ' 998' ' ' LYS . 2.1 m -145.78 153.94 41.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 73.02 110.44 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.643 ' HB2' HG22 ' A' ' 990' ' ' VAL . 17.7 ttmt -133.75 112.38 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 63.44 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.487 ' HE3' HG22 ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.57 130.29 54.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.52 109.312 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.13 110.83 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 74.41 110.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.482 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.1 m-85 -102.88 -172.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.53 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.533 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.4 pttt -125.69 -48.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 60.12 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.743 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.1 mttm -118.97 157.59 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.01 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.723 ' HA ' HD12 ' A' ' 984' ' ' ILE . 20.2 m95 -69.72 -24.97 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 72.41 107.995 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.743 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -60.57 -21.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 63.11 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.73 -26.16 44.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.35 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.29 110.95 3.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 70.43 109.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -0.89 10.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 71.22 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' 1008 ' ' ILE . 0.9 OUTLIER -93.48 130.73 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 70.25 109.266 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.5 t -66.64 158.61 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 72.45 110.41 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.884 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.5 m-85 -129.71 165.74 30.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 63.3 111.047 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.31 111.005 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -146.79 106.32 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.32 109.284 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.904 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -120.75 123.71 43.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.05 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.401 ' HB2' ' CG ' ' A' 1017 ' ' GLU . 36.3 m-20 -111.52 166.04 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 61.53 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.696 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 11.4 m-85 -89.17 -60.14 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 62.24 111.047 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.3 t -40.03 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.44 110.034 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' 1015 ' ' TYR . 4.2 mm-40 -38.95 -50.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 51.13 110.256 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 78.9 m -102.07 161.32 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 65.41 108.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 8.9 p -115.14 25.15 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.23 108.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' 1021 ' ' PHE . 4.0 mt -47.14 -52.11 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 75.14 109.331 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 975' ' ' LYS . 51.4 m-85 -37.25 -34.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 64.2 111.02 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1021 ' ' PHE . 44.5 t 38.54 45.38 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.12 109.988 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -40.42 -37.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 74.15 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.89 177.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 74.11 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 62.33 109.313 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.986 -0.846 . . . . 42.1 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.0 -13.45 21.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 74.55 110.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 892' ' ' PRO . 5.3 mp -40.45 134.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 53.34 109.273 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 133.73 132.33 3.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 62.11 110.964 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 895' ' ' SER . . . . . 0.431 ' HB2' ' ND2' ' A' ' 993' ' ' ASN . 6.3 p -175.87 177.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 75.11 109.975 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.508 ' CD1' ' N ' ' A' ' 896' ' ' TYR . 4.7 m-30 -51.97 -175.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 75.44 111.023 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 898' ' ' ASN . 30.1 ttpt -168.46 168.06 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.21 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' A' ' 897' ' ' LYS . 11.5 m-80 61.75 52.07 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 74.42 109.257 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -145.23 126.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 63.43 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 1.91 7.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 72.01 111.048 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 29.2 t -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 54.53 110.009 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.835 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -90.54 -25.35 20.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 55.45 109.274 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -97.5 157.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 72.5 109.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.827 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.5 158.83 44.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 73.44 110.379 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.5 m-30 -100.35 139.23 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.52 111.047 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.25 177.39 7.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 52.55 109.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 47.6 t -89.84 123.73 34.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.978 -1.01 . . . . 53.41 110.884 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.57 -59.5 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 61.03 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -46.53 -59.81 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.14 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.6 m -97.02 -101.14 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 72.42 108.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.5 OUTLIER 154.46 41.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 33.13 110.019 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.06 133.72 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 72.52 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.35 106.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 63.34 109.287 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.33 -35.71 19.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 75.23 109.359 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -176.74 165.51 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 72.24 108.302 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 904' ' ' THR . 60.4 p -108.63 157.11 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.4 109.942 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.87 -52.29 43.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 51.02 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.1 pp20? -55.17 -28.95 56.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 72.31 110.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.39 28.06 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.23 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.787 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.0 mm -133.45 150.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.24 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.632 ' CD2' HD12 ' A' 1013 ' ' LEU . 79.0 m-70 -114.94 178.66 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.52 109.608 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.1 t -135.44 156.68 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 63.23 109.31 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.549 HD13 ' O ' ' A' 1013 ' ' LEU . 6.8 mm -131.67 115.19 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 65.52 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 926' ' ' MET . 68.2 mm-40 51.54 29.05 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 75.14 110.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.418 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 43.91 27.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.42 109.289 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 21.9 ptm -126.6 -41.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 75.52 111.017 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.468 ' N ' ' CG ' ' A' ' 926' ' ' MET . 28.9 m170 -114.45 134.94 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 75.22 109.577 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -105.11 110.43 22.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 64.05 109.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.98 134.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 71.52 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.787 ' OD1' HD13 ' A' ' 920' ' ' ILE . 65.2 t30 -99.45 96.01 7.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 61.43 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.1 mtt -83.07 47.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.13 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -105.94 127.2 28.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.32 110.442 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.36 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 75.43 111.027 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.1 pt-20 -56.1 -34.55 66.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.22 110.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.896 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 64.9 t80 -59.29 -21.52 59.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.24 110.986 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -64.62 -16.16 62.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 72.41 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.3 5.87 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.11 110.281 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 935' ' ' PHE . 8.0 mt -113.2 -14.57 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.24 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -127.65 149.48 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.3 111.009 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.4 mt -124.09 138.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.52 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 960' ' ' ILE . 2.1 t -104.99 129.25 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 71.42 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -103.25 143.56 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 72.33 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.46 104.61 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 75.22 110.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.954 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.2 t-20 -154.44 130.13 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.33 109.243 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -96.63 -8.17 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.1 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.954 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.24 -13.33 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 44.01 109.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -102.79 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 33.35 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.527 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.5 pp0? -60.08 162.19 6.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 75.24 110.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 11.4 mtpt -147.47 -175.91 5.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.23 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 952' ' ' ALA . 12.1 mttm -107.52 -76.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.32 109.276 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 8.5 m -52.03 93.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 65.14 108.323 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.31 -178.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.13 109.317 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.57 -26.7 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 52.24 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -111.26 95.46 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.45 110.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 973' ' ' VAL . 7.6 tp60 -66.99 141.71 57.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 61.31 110.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 971' ' ' MET . 1.1 mm -118.15 157.08 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.23 109.268 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -99.45 -27.08 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 72.25 109.312 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.09 -137.52 5.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 34.02 111.009 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -125.02 135.21 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 73.21 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.672 HG22 HG23 ' A' ' 941' ' ' VAL . 20.3 pt -93.52 138.18 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 51.42 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 967' ' ' ALA . 15.6 pt -138.81 149.4 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 74.51 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.73 -174.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 75.31 108.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -62.55 -51.42 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 70.14 109.294 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 11.8 m -56.02 -32.7 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 52.32 108.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 109.89 39.68 1.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 71.04 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 24.0 tp60 -97.35 124.71 41.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 71.11 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.745 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.28 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.53 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.706 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.3 m0 -67.79 -42.67 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.43 108.03 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 970' ' ' THR . . . 175.62 -118.85 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 72.11 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -153.81 164.1 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 60.45 110.404 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.587 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.6 tpp -109.54 97.09 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.13 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 15.0 mtp -81.73 153.18 26.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.33 111.023 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 977' ' ' LEU . 12.8 t -121.39 151.42 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 65.11 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.796 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.8 92.56 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.22 109.6 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm 61.08 23.77 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.12 109.27 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.16 -1.09 33.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.464 1.103 . . . . 63.15 111.0 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 978' ' ' ASP . 1.0 OUTLIER -79.07 167.39 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.805 . . . . 73.12 109.311 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.721 ' H ' HD23 ' A' ' 977' ' ' LEU . 2.4 m-20 -117.87 119.58 35.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 73.24 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -138.43 96.26 9.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 72.3 109.315 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.587 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 71.2 110.963 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 981' ' ' CYS . . . . . 0.508 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -97.13 111.67 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 70.21 108.309 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.896 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -98.5 145.32 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.52 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.493 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.1 OUTLIER -106.26 126.02 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.23 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.3 mt -59.15 -26.85 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.42 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.493 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -66.88 -7.61 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 74.32 110.285 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 16.6 m120 -117.95 -5.77 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 60.4 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.706 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 26.6 m-85 -121.29 -176.09 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 70.31 110.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 13.3 t -137.34 162.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.32 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.8 t -120.73 123.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 43.54 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -115.0 122.57 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 74.24 109.298 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 903' ' ' ILE . 51.2 m-85 -90.04 117.33 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 72.55 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -81.51 -17.31 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 73.22 109.285 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.835 ' OD1' HD22 ' A' ' 902' ' ' LEU . 2.4 m120 -99.83 -53.56 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 63.23 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -64.57 -13.36 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 61.12 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 995' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 996' ' ' THR . 13.4 m 53.24 56.76 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 54.13 109.973 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 997' ' ' LYS . 79.8 m -157.88 173.43 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 45.11 110.375 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.0 ttmt -134.3 113.95 12.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 72.42 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.406 ' HE2' HG21 ' A' ' 996' ' ' THR . 1.0 OUTLIER -109.07 169.81 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.53 109.288 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -136.08 106.96 6.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 72.33 110.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.48 ' CB ' HG21 ' A' ' 984' ' ' ILE . 74.2 m-85 -95.63 -173.09 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 61.5 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 37.5 pttt -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 70.35 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.695 ' HB3' HG12 ' A' 1004 ' ' VAL . 14.6 mttm -119.97 158.37 26.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.01 109.332 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.597 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.0 m95 -69.17 -19.84 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.24 108.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.695 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -69.92 -24.85 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 73.31 109.292 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.03 -18.44 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 74.53 110.301 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.8 tp -69.71 115.29 31.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 62.11 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.36 11.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 42.34 110.988 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -90.84 133.57 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 61.5 109.279 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.2 t -70.63 152.93 43.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.34 110.38 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.2 m-85 -133.18 164.12 46.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.55 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.43 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 64.31 110.982 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.62 104.99 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 71.54 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -118.62 122.52 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 72.32 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.459 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 9.4 t0 -133.96 115.24 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 71.21 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' 1014 ' ' ASP . 1.2 p90 -36.58 -45.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 64.14 111.016 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.6 t -39.87 -50.3 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.44 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -38.97 -47.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 74.03 110.266 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 50.4 m -97.45 135.36 39.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 35.24 108.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.717 ' C ' HD23 ' A' 1020 ' ' LEU . 4.9 p -124.79 68.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 73.41 108.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.739 ' N ' HD23 ' A' 1020 ' ' LEU . 1.5 mt -100.89 -38.86 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 62.24 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -64.13 -10.8 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 74.33 111.022 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.43 46.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 62.22 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.86 -16.02 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 64.21 109.304 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.12 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 71.32 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.11 109.336 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.96 -0.856 . . . . 34.13 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.819 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -75.03 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 53.42 110.966 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.819 HD22 ' C ' ' A' ' 892' ' ' PRO . 1.9 mm? -122.51 -175.33 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 62.43 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -148.84 127.38 2.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 63.23 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 35.2 t -173.25 157.21 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 63.15 110.013 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 54.25 50.54 16.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 74.02 110.969 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.481 ' O ' HD11 ' A' 1008 ' ' ILE . 6.7 ptpp? -114.15 24.58 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 73.31 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' 1007 ' ' PRO . 11.9 t-20 -93.09 23.67 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.33 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.82 129.19 24.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 65.22 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -75.03 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 51.21 110.981 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.2 t -84.64 -23.6 29.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 71.43 110.038 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.527 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -87.99 -28.86 21.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 72.53 109.326 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.585 HD13 HG12 ' A' 1008 ' ' ILE . 0.5 OUTLIER -96.47 152.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 71.13 109.272 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.06 160.02 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 73.11 110.404 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.2 m-30 -100.79 141.12 34.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.31 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 905' ' ' PHE . 0.8 OUTLIER -135.65 176.32 8.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 73.22 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.3 t -91.37 120.56 32.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.99 -1.004 . . . . 60.23 110.92 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -51.31 -60.37 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 73.31 109.285 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -45.65 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 31.4 109.29 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.1 m -97.92 -100.46 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.21 108.259 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.3 t 153.15 42.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 70.14 110.034 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.97 130.8 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 42.42 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.69 107.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 73.11 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.418 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.84 -34.61 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 60.04 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.78 160.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 55.41 108.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -105.52 157.5 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 63.33 110.036 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.0 -45.52 56.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 72.24 111.007 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 0.3 OUTLIER -63.05 -28.77 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 0.763 . . . . 61.11 110.324 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.14 31.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 62.2 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.55 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.2 mm -133.57 144.42 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 75.31 109.363 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.88 ' CG ' HD12 ' A' 1013 ' ' LEU . 71.5 m80 -111.7 148.92 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 75.43 109.624 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.718 HG22 ' CD2' ' A' ' 928' ' ' HIS . 71.2 t -112.74 163.9 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 73.1 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' 1013 ' ' LEU . 6.2 mm -126.04 105.2 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.04 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 35.7 mm-40 37.84 44.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 75.32 110.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.522 ' CD ' HG11 ' A' ' 922' ' ' VAL . 10.2 mmtm 39.96 50.57 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 71.22 109.295 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.479 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 3.8 ptm -133.71 -40.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 74.33 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.479 ' N ' ' CG ' ' A' ' 926' ' ' MET . 23.1 m80 -135.79 148.04 48.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 72.13 109.631 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.718 ' CD2' HG22 ' A' ' 922' ' ' VAL . 2.0 t-160 -112.39 105.46 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 64.5 109.581 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 6.2 m -110.73 140.36 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 71.34 109.261 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.55 ' OD1' HD13 ' A' ' 920' ' ' ILE . 59.0 t30 -99.55 95.42 6.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 74.52 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 9.1 mtt -83.98 47.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 73.4 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 1.2 m -109.85 126.77 28.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 50.0 110.43 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 74.45 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.83 -24.89 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.21 110.244 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.706 ' CE1' HD21 ' A' ' 982' ' ' LEU . 67.2 t80 -75.82 -21.46 57.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.54 111.011 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.605 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 9.2 ptpt -64.67 -14.41 58.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 65.33 109.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.81 5.73 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.01 110.314 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.598 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 5.4 mt -113.91 -13.46 12.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 65.1 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.639 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -124.01 149.3 46.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.04 110.969 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.93 139.51 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 74.54 109.272 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -108.67 138.68 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.52 109.276 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.471 ' NE ' ' CD1' ' A' ' 961' ' ' ILE . 0.0 OUTLIER -113.28 147.68 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.2 110.324 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.32 104.9 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 71.25 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.934 HD22 ' HB3' ' A' ' 946' ' ' ALA . 10.4 t-20 -155.87 131.72 9.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 72.21 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -96.67 -9.21 29.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.42 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.934 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -61.7 -14.39 31.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 22.13 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.4 mm? -103.67 -76.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.45 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.55 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 1.4 pp0? -54.49 161.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 75.01 110.269 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 15.2 mttm -146.24 -176.7 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 71.13 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 952' ' ' ALA . 0.5 OUTLIER -104.23 -78.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 75.13 109.344 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 42.7 t -51.69 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.31 108.269 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.4 176.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 5.42 109.286 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -106.07 -30.08 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 74.31 109.276 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -107.33 93.3 4.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 74.1 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tp60 -66.83 133.04 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 75.52 110.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.55 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -106.0 158.22 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.32 109.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -103.98 -24.58 13.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 63.24 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.23 6.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 54.32 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -120.37 136.08 54.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 74.33 110.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.704 HG22 HG23 ' A' ' 941' ' ' VAL . 5.9 pt -96.54 134.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 72.02 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.799 HG22 ' HA ' ' A' ' 967' ' ' ALA . 33.7 pt -136.76 150.95 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.22 109.247 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.62 -174.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 72.04 108.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 4.2 mmmm -60.66 -52.03 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.41 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.77 -38.13 66.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 65.21 108.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 116.76 30.9 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 45.5 110.982 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 18.4 tp60 -87.02 127.91 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 65.04 110.282 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.799 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -58.02 94.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 73.04 109.365 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 5.3 m0 -69.81 -44.31 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.12 108.031 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 970' ' ' THR . . . 173.41 -116.45 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 64.12 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.472 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.9 OUTLIER -152.99 166.0 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 63.53 110.346 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.528 ' O ' HG23 ' A' ' 956' ' ' ILE . 21.1 tpp -112.84 102.35 10.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 64.41 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 26.3 mtp -84.84 159.54 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.03 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 955' ' ' GLN . 25.4 t -122.77 147.67 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 71.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.938 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -133.75 90.5 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 44.54 109.554 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 975' ' ' LYS . 3.3 mtmp? 60.92 23.9 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.03 109.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 973' ' ' VAL . . . 109.37 -3.78 31.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 62.31 110.978 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.877 HD12 ' CE1' ' A' 1021 ' ' PHE . 2.5 tt -79.01 167.34 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 72.54 109.306 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.732 ' N ' HD23 ' A' ' 977' ' ' LEU . 6.4 p-10 -115.12 118.9 34.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 73.03 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.938 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -131.28 96.21 22.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 70.13 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.429 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 113.75 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.54 111.045 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 981' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -96.25 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.2 108.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.706 HD21 ' CE1' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -97.78 157.7 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 71.44 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 8.2 mttt -118.5 122.33 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.39 -17.74 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 70.44 109.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.5 -12.28 61.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.23 110.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 70.3 m-20 -119.36 -4.26 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 62.21 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 23.0 m-85 -116.36 -176.05 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.4 111.04 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.1 t -139.16 158.28 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 62.23 109.292 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.41 119.18 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 72.31 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.561 ' CG2' ' HZ3' ' A' ' 997' ' ' LYS . 3.0 t -116.5 124.34 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.24 109.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.469 ' CD1' HG22 ' A' ' 903' ' ' ILE . 49.5 m-85 -82.28 137.56 34.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.41 110.977 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -85.83 -34.42 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 72.1 109.311 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.527 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.2 m-20 -41.09 -55.42 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 74.35 109.278 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -139.9 155.9 46.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 72.33 109.339 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 2.2 t -61.57 91.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 52.11 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 2.3 m -148.47 142.89 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.42 110.382 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.561 ' HZ3' ' CG2' ' A' ' 990' ' ' VAL . 8.4 ttmm -125.46 111.08 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 70.12 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.82 146.12 30.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 61.22 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -124.17 110.52 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.23 110.333 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.477 ' HB2' HG21 ' A' ' 984' ' ' ILE . 93.2 m-85 -102.26 -169.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.44 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.54 ' CA ' HG22 ' A' ' 984' ' ' ILE . 15.3 pttp -125.84 -47.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.33 109.283 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.74 ' HB3' HG12 ' A' 1004 ' ' VAL . 32.3 mttt -121.17 157.88 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.45 109.267 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.605 ' HA ' HD12 ' A' ' 984' ' ' ILE . 27.6 m95 -69.83 -24.71 63.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 73.3 108.003 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.74 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.7 p -61.43 -24.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 65.31 109.235 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -74.14 -26.48 60.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.21 110.333 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.739 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.1 tp -60.27 110.86 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 73.32 109.293 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.04 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 74.41 111.009 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.585 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.43 139.78 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 73.13 109.26 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -75.26 158.58 32.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.24 110.407 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.739 ' CE1' HD23 ' A' 1006 ' ' LEU . 14.0 m-85 -137.96 166.29 27.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1011 ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.98 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 55.43 111.0 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1012 ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' 1011 ' ' PRO . 1.1 m-80 -146.19 105.27 3.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 61.24 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.88 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -111.23 128.84 56.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 40.21 109.261 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.88 163.86 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 70.1 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.661 ' CD1' ' CD2' ' A' ' 974' ' ' HIS . 33.4 m-85 -89.3 -42.62 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.23 110.994 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.2 -32.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 52.45 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.55 -52.92 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.44 110.307 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.6 m -98.57 118.39 35.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 52.03 108.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.6 ' C ' HD23 ' A' 1020 ' ' LEU . 8.2 t -115.13 46.04 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 65.22 108.269 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.651 ' N ' HD23 ' A' 1020 ' ' LEU . 0.6 OUTLIER -99.52 -42.99 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 70.1 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.877 ' CE1' HD12 ' A' ' 977' ' ' LEU . 13.7 m-85 -37.77 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 71.21 110.983 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' 1020 ' ' LEU . 13.0 t -40.44 107.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 70.3 109.964 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -130.48 20.97 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.12 109.304 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.31 173.05 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 62.32 110.29 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 70.05 109.328 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.957 -0.857 . . . . 41.34 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.61 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 70.21 111.026 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.65 -76.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.14 109.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 152.25 171.7 20.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 71.13 111.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 895' ' ' SER . . . . . 0.51 ' HB2' ' ND2' ' A' ' 993' ' ' ASN . 12.9 m -168.2 -174.45 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 73.41 110.03 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -69.91 -178.92 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 72.54 111.02 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -156.58 175.78 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.13 109.3 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 61.59 31.41 18.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 73.42 109.308 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -125.14 124.11 25.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 73.15 109.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.546 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 0.99 8.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 63.52 110.995 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 27.4 t -86.36 -25.55 25.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 44.53 110.025 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.696 HD22 ' OD1' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -90.58 -23.88 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.51 109.248 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.674 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.65 156.49 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.25 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.844 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.7 157.88 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.14 110.363 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.3 m-30 -100.24 140.25 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 72.53 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.92 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 75.03 109.3 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -88.84 126.34 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.998 -1.001 . . . . 52.22 110.893 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -55.68 -61.1 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 73.01 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -45.49 -57.34 4.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.32 109.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 911' ' ' SER . 77.9 m -99.96 -102.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.32 108.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.6 m 155.65 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 71.42 109.969 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.25 131.28 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.13 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.844 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -59.25 107.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 42.22 109.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -35.17 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 65.23 109.327 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.849 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.44 160.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 60.0 108.279 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 904' ' ' THR . 46.7 p -104.26 158.12 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 42.21 109.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -50.32 -51.92 29.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 54.41 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.41 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.8 pt-20 -60.42 -25.39 65.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 74.41 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.83 28.18 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 63.31 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.814 HD13 ' OD1' ' A' ' 930' ' ' ASN . 1.8 mm -133.18 148.87 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 75.02 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.687 ' CE1' HD12 ' A' 1013 ' ' LEU . 18.3 m80 -118.77 156.95 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 63.13 109.611 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 923' ' ' ILE . 78.0 t -123.02 163.26 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 64.3 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.612 HD13 ' O ' ' A' 1013 ' ' LEU . 11.6 mm -121.02 108.57 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 75.45 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 18.1 mm-40 37.56 40.96 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 74.24 110.34 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp 41.44 51.4 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.24 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.49 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 11.6 ptm -135.81 -40.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 74.32 110.972 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.49 ' N ' ' CG ' ' A' ' 926' ' ' MET . 20.0 m80 -124.14 165.14 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 74.42 109.585 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.578 ' CG ' ' CD1' ' A' 1003 ' ' TRP . 0.4 OUTLIER -124.56 102.76 7.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.11 109.576 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.54 135.75 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 71.21 109.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 920' ' ' ILE . 67.2 t30 -101.22 96.08 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 74.12 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 10.3 mtt -83.49 47.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 71.25 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.849 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.96 124.95 35.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 70.15 110.418 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 933' ' ' PRO . . . . . 0.462 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -74.99 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.445 1.76 . . . . 75.21 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.2 pt-20 -59.94 -27.18 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.42 110.26 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.918 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.5 t80 -70.19 -19.29 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 64.43 110.963 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 5.2 ptpt -65.68 -17.23 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 63.23 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.9 4.33 31.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 63.32 110.315 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.553 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 18.6 mt -109.0 -12.52 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.32 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.68 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.5 148.98 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.25 111.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.505 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.7 mt -125.47 135.94 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 65.3 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.68 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -98.35 127.5 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.22 109.272 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -105.66 121.55 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.13 110.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -42.85 104.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 60.51 110.341 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.655 HD22 ' HB3' ' A' ' 946' ' ' ALA . 17.0 t-20 -154.74 115.88 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.31 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -90.25 -7.48 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 63.14 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.655 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -66.43 -10.07 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 74.11 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.2 mm? -105.3 -59.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 70.24 109.286 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.52 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.2 OUTLIER -74.88 146.03 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 51.11 110.272 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -136.81 -175.47 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 62.15 109.319 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 952' ' ' ALA . 27.3 mttt -105.14 -77.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.41 109.302 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 17.2 p -49.38 96.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.02 108.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -178.25 -176.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 64.41 109.286 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -110.86 -27.5 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 73.11 109.235 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.95 96.27 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 63.34 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.612 ' HA ' HE21 ' A' ' 955' ' ' GLN . 1.0 OUTLIER -67.32 131.31 45.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.44 110.319 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.52 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -107.08 158.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 71.32 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.18 -24.71 13.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 65.22 109.312 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 163.15 -142.33 7.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 72.23 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 959' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 967' ' ' ALA . 7.3 tt0 -122.39 134.9 54.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 0.798 . . . . 64.14 110.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 939' ' ' TYR . 7.0 pt -95.34 130.09 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 55.53 109.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.7 pt -132.59 148.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 62.42 109.263 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -65.84 -174.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 60.31 108.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 940' ' ' ILE . 4.2 mmmm -59.48 -51.98 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 64.04 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.74 -38.02 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.31 108.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.03 32.55 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 73.33 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 968' ' ' TRP . 27.8 tp60 -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 65.12 110.235 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.793 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.34 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 61.31 109.254 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.702 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -66.33 -42.97 87.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 72.32 108.025 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 970' ' ' THR . . . 176.65 -117.33 0.59 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 62.2 110.983 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -154.84 161.73 41.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 71.04 110.399 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.1 tpp -105.45 94.78 5.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 44.43 111.014 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 10.1 mtp -81.89 155.24 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 73.22 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.8 t -127.64 148.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 74.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.57 102.09 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 74.23 109.628 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.22 22.59 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.52 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.84 1.7 49.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 53.2 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.868 ' O ' HG13 ' A' ' 973' ' ' VAL . 11.1 tp -79.38 166.64 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 72.14 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -114.95 115.48 26.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 63.34 109.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.25 96.58 11.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 74.22 109.269 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.418 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -75.01 120.21 5.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 70.41 111.034 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 981' ' ' CYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -97.8 112.75 24.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.3 108.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.918 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -99.93 145.54 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 53.4 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -107.75 126.63 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 73.04 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -58.71 -28.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 62.44 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.498 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.5 ptt-85 -64.6 -8.67 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 74.44 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 17.5 m120 -117.77 -3.35 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.14 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.702 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.5 m-85 -123.82 -176.27 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.42 111.049 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.79 162.33 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 71.04 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' 1006 ' ' LEU . 3.1 t -119.3 129.3 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 73.21 109.319 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 997' ' ' LYS . 0.9 OUTLIER -121.1 119.29 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 63.33 109.37 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 903' ' ' ILE . 72.6 m-85 -89.42 124.83 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 72.14 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -86.55 -11.69 50.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 73.1 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.696 ' OD1' HD22 ' A' ' 902' ' ' LEU . 3.4 m-20 -99.33 -56.22 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.12 109.319 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.97 -13.35 59.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.42 109.311 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 58.0 m 54.36 52.14 13.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 73.34 110.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.641 HG21 ' HE3' ' A' ' 998' ' ' LYS . 55.7 m -152.44 174.73 13.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 35.44 110.401 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.677 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.2 ttmt -134.19 115.52 14.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 75.51 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 996' ' ' THR . 2.1 mptm? -107.68 163.99 12.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 64.21 109.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -128.82 108.92 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 70.2 110.36 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.471 ' CB ' HG21 ' A' ' 984' ' ' ILE . 87.9 m-85 -99.68 -173.21 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.32 111.013 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 39.1 pttt -125.12 -49.89 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 72.32 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.657 ' HB3' HG12 ' A' 1004 ' ' VAL . 53.9 mttt -118.54 158.91 24.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 73.33 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.664 ' HA ' HD12 ' A' ' 984' ' ' ILE . 33.8 m95 -70.06 -21.37 63.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.027 -1.101 . . . . 75.41 108.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.657 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.2 p -67.46 -26.12 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 60.05 109.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.11 110.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -71.48 113.96 24.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 75.25 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 51.11 110.986 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -91.13 131.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 63.44 109.279 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -65.54 157.92 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.44 110.395 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' 1006 ' ' LEU . 19.3 m-85 -134.66 161.39 63.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.23 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1011 ' ' PRO . . . . . 0.442 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.95 -168.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 74.54 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1012 ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' 1011 ' ' PRO . 2.5 m-80 -147.42 104.46 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 75.41 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.687 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.58 122.54 41.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 63.43 109.315 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1014 ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' 1015 ' ' TYR . 10.1 t0 -128.51 115.16 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 63.11 109.312 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.488 ' CD1' ' NE2' ' A' ' 974' ' ' HIS . 1.2 p90 -36.45 -45.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 74.34 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.9 t -39.22 -50.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 65.53 109.956 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -38.8 -47.36 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 71.22 110.306 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 99.0 m -105.86 119.04 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 71.32 108.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.642 ' C ' HD23 ' A' 1020 ' ' LEU . 84.1 m -99.47 73.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 72.43 108.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.642 HD23 ' C ' ' A' 1019 ' ' CYS . 4.0 mt -105.46 -38.52 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 72.42 109.249 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 977' ' ' LEU . 4.4 m-85 -76.33 0.85 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 71.34 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.42 46.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.51 110.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -109.0 -25.04 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 74.43 109.283 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -51.36 169.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 44.32 110.244 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 72.41 109.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 891' ' ' GLY . . . . . 0.551 ' C ' HD22 ' A' ' 893' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 74.22 110.996 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.462 ' N ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -74.99 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 72.31 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.551 HD22 ' C ' ' A' ' 891' ' ' GLY . 0.2 OUTLIER 48.82 50.04 18.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 74.23 109.284 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -129.85 141.47 12.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 64.43 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 46.5 t -129.32 -75.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 65.32 109.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 896' ' ' TYR . . . . . 0.485 ' O ' ' ND2' ' A' ' 993' ' ' ASN . 19.8 m-85 -116.29 169.92 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 73.42 110.991 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -146.84 -178.31 6.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 52.55 109.337 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 26.0 t-20 61.24 20.49 11.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 73.44 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.73 126.31 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 74.55 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.553 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.5 Cg_endo -74.9 -0.3 9.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 54.42 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -83.04 -27.18 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.41 109.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.483 HD13 ' OD1' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -86.93 -23.68 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.41 109.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.02 155.54 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 61.34 109.297 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.11 160.01 42.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 64.05 110.381 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.4 m-30 -100.08 139.6 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.15 111.017 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.0 OUTLIER -134.0 176.47 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 75.21 109.341 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.9 t -91.71 122.1 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 74.52 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -53.14 -58.47 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.42 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -47.37 -58.42 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 72.03 109.324 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -98.45 -100.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 45.23 108.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.7 OUTLIER 153.55 42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 55.22 110.004 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.54 135.24 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 52.33 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 106.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 63.42 109.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.41 -34.8 18.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 35.2 109.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 915' ' ' CYS . . . . . 0.998 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.87 161.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 53.23 108.266 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.652 ' CB ' HG23 ' A' ' 904' ' ' THR . 6.0 t -106.24 161.64 14.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.52 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -55.15 -50.12 60.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 53.3 110.974 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -58.31 -23.49 56.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 62.31 110.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.2 27.87 3.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.12 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -132.94 156.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.11 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' 1013 ' ' LEU . 1.1 m-70 -119.5 -179.31 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 53.3 109.635 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' 1013 ' ' LEU . 40.5 t -140.95 149.17 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 63.13 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.517 HD12 ' CE2' ' A' 1015 ' ' TYR . 2.1 mm -117.08 112.36 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 72.1 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 924' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 925' ' ' LYS . 11.3 mm-40 42.88 38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 72.42 110.286 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 925' ' ' LYS . 0.1 OUTLIER 38.98 45.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 65.52 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.485 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 9.8 ptm -133.85 -40.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 73.24 110.965 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.485 ' N ' ' CG ' ' A' ' 926' ' ' MET . 34.2 m80 -124.58 142.3 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 74.22 109.596 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' 1003 ' ' TRP . 57.5 m-70 -101.4 98.45 8.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 74.24 109.645 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.35 132.0 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 74.2 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -94.29 95.73 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 51.03 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 931' ' ' MET . . . . . 0.495 ' HE3' HD22 ' A' 1013 ' ' LEU . 4.7 mmt -83.49 47.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 61.03 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.998 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 122.3 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 51.23 110.389 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.73 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 63.23 111.015 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.88 -33.84 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.03 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 938' ' ' LEU . 73.8 t80 -60.05 -20.42 57.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 71.31 111.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 8.3 ptpt -66.04 -14.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 54.53 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -105.01 4.57 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 74.34 110.258 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.3 mt -109.68 -20.32 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 63.24 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.749 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -118.27 151.01 38.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 70.44 111.006 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.62 136.21 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 73.1 109.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.749 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -94.08 131.86 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 71.12 109.327 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.721 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -110.04 119.69 40.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 64.21 110.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.87 104.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.4 110.274 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.947 HD22 ' HB3' ' A' ' 946' ' ' ALA . 9.4 t-20 -156.28 115.4 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.41 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -86.61 -8.75 57.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 75.2 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.947 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -62.25 -14.44 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 63.51 109.299 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -104.67 -60.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 62.13 109.255 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.499 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.3 OUTLIER -75.55 146.91 40.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 72.44 110.262 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 949' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -136.91 -179.02 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 54.33 109.316 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 950' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 952' ' ' ALA . 0.2 OUTLIER -102.35 -78.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 74.43 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 43.9 t -50.08 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 53.35 108.338 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.41 -177.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 73.51 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 60.12 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -110.28 95.27 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.21 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 973' ' ' VAL . 36.6 tp60 -66.99 131.05 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 75.44 110.267 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.18 157.6 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 72.15 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -101.55 -25.88 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.1 109.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.54 -138.26 5.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 73.52 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.97 130.64 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 72.42 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.494 HG22 ' CE1' ' A' ' 939' ' ' TYR . 13.1 pt -88.02 129.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.54 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.826 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -132.45 144.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.43 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.39 -175.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 60.32 108.284 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -61.76 -51.14 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 63.12 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.45 -35.2 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 64.14 108.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 113.47 37.17 1.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 51.33 110.967 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.0 tp60 -96.56 121.43 38.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 64.34 110.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.8 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 63.22 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.0 m0 -69.38 -36.8 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 74.01 107.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 171.4 -126.6 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 74.12 111.0 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.82 150.48 34.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 72.15 110.37 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 956' ' ' ILE . 22.4 tpp -97.04 95.94 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 63.12 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 17.5 mtp -81.92 153.39 26.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 72.53 111.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -132.06 138.98 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.44 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -126.39 100.32 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 71.15 109.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 2.2 mtmp? 60.28 22.56 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.52 109.322 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.33 37.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 73.45 110.968 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.897 ' O ' HG13 ' A' ' 973' ' ' VAL . 15.4 tp -79.8 166.54 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 63.44 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -121.36 105.6 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 61.41 109.256 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 977' ' ' LEU . 0.2 OUTLIER -133.07 96.81 17.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.21 109.296 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 75.21 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.06 106.52 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.22 108.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -89.01 165.67 14.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 54.15 109.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 983' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -125.31 121.88 35.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 70.2 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.41 -17.21 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.42 109.351 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.14 -11.84 60.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 51.14 110.305 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 967' ' ' ALA . 26.2 m120 -118.45 -2.97 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 74.05 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 25.6 m-85 -118.15 -176.66 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.1 111.037 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.1 t -138.97 158.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.25 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.422 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -122.73 119.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.51 109.238 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -114.92 122.31 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 72.45 109.276 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 903' ' ' ILE . 42.1 m-85 -83.46 135.64 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.32 111.017 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -85.35 -40.31 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.41 109.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 896' ' ' TYR . 3.3 m-20 -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 64.2 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -128.9 149.3 50.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 52.24 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 995' ' ' SER . . . . . 0.405 ' C ' ' OG1' ' A' ' 996' ' ' THR . 1.2 m -68.39 92.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 62.32 110.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 996' ' ' THR . . . . . 0.446 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 7.5 m -156.39 160.8 39.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 74.23 110.426 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 997' ' ' LYS . . . . . 0.498 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.3 ttpp -133.74 116.3 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 72.51 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 998' ' ' LYS . . . . . 0.446 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -107.35 129.19 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.41 109.297 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -106.81 111.23 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 73.44 110.356 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.5 m-85 -101.79 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.45 111.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.514 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.5 pttt -128.86 -46.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 64.23 109.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.486 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.1 OUTLIER -120.37 156.97 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 52.34 109.316 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.641 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.3 m95 -68.56 -25.13 64.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 74.43 107.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -63.02 -31.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.34 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.24 -21.84 65.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.22 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.34 113.76 22.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 52.11 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 63.04 110.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.79 132.54 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 75.21 109.313 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -73.89 139.7 45.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 71.4 110.389 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' 1006 ' ' LEU . 15.6 m-85 -110.31 165.9 11.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 71.01 111.018 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -168.86 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 64.11 110.965 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -149.52 97.0 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.03 109.265 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 921' ' ' HIS . 0.2 OUTLIER -76.77 -169.88 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 62.33 109.32 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.68 113.51 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 72.12 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.517 ' CE2' HD12 ' A' ' 923' ' ' ILE . 3.3 m-85 -38.1 -49.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.54 111.03 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.5 t -42.69 -46.73 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 24.1 109.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -39.23 -47.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 75.14 110.311 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 8.5 m -64.03 121.19 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 65.44 108.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 4.5 m -120.51 44.68 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 62.2 108.275 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' 1020 ' ' LEU . 2.3 mt -86.91 -40.28 14.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 72.02 109.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.479 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 14.4 m-85 -38.38 -29.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 75.13 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1022 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1020 ' ' LEU . 7.5 t -54.63 102.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 44.44 110.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -41.87 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 52.1 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -54.94 156.7 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 74.45 110.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 70.23 109.342 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.017 -0.833 . . . . 71.15 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 892' ' ' PRO . . . . . 0.485 ' C ' HD12 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 73.12 111.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 892' ' ' PRO . 5.3 mp -147.58 179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 72.12 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -179.62 158.03 21.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.432 1.083 . . . . 44.45 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 56.8 m -100.15 -73.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 0.731 . . . . 73.02 110.015 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -122.29 158.99 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 74.1 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 897' ' ' LYS . . . . . 0.521 ' HG2' ' CE1' ' A' ' 991' ' ' PHE . 13.2 ttmt -132.47 20.8 4.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 61.54 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 898' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.8 t-20 -91.52 20.21 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 51.44 109.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -106.49 127.0 29.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 71.23 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 900' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.04 0.34 9.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 71.11 111.023 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.6 t -84.57 -25.43 28.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 71.33 109.993 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 902' ' ' LEU . . . . . 0.511 HD13 ' OD1' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -88.6 -22.96 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 63.45 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 903' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -102.29 150.63 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.29 162.51 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 51.41 110.415 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.7 m-30 -99.06 140.86 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.3 110.964 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.612 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.8 OUTLIER -134.55 171.77 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 74.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.6 t -89.79 119.47 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.98 -1.009 . . . . 53.14 110.892 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -50.75 -56.5 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.3 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.01 -58.72 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 72.41 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 910' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 911' ' ' SER . 76.0 m -99.71 -102.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 45.53 108.238 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 911' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.9 t 157.71 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 65.45 110.013 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.27 134.76 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 74.4 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.62 107.82 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 74.32 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 914' ' ' ALA . . . . . 0.464 ' HB3' ' HE2' ' A' ' 987' ' ' PHE . . . -87.24 -35.61 18.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.22 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.97 163.87 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 51.3 108.304 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.614 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 75.14 110.022 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.33 -47.89 66.62 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.442 1.089 . . . . 54.43 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -60.51 -22.68 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 74.43 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.63 31.1 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 43.22 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 920' ' ' ILE . . . . . 0.77 HD13 ' OD1' ' A' ' 930' ' ' ASN . 3.1 mm -133.5 155.75 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.42 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 921' ' ' HIS . . . . . 0.788 ' CD2' HD12 ' A' 1013 ' ' LEU . 56.0 m80 -118.06 164.08 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 74.45 109.582 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 922' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 4.0 t -119.92 149.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.13 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 923' ' ' ILE . . . . . 0.604 HD11 ' CE1' ' A' 1015 ' ' TYR . 5.6 mm -126.76 113.66 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.34 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 52.22 23.78 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 71.2 110.292 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 47.73 27.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 72.21 109.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 926' ' ' MET . . . . . 0.413 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 19.2 ptm -121.64 -37.65 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 75.04 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 927' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' A' ' 926' ' ' MET . 19.2 m80 -118.02 159.82 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.35 109.605 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 928' ' ' HIS . . . . . 0.696 ' CE1' HG21 ' A' ' 920' ' ' ILE . 0.5 OUTLIER -123.28 106.9 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.1 109.602 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.73 138.96 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 72.42 109.273 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 930' ' ' ASN . . . . . 0.77 ' OD1' HD13 ' A' ' 920' ' ' ILE . 60.0 t30 -105.12 95.96 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 72.01 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.89 47.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 62.11 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 932' ' ' THR . . . . . 0.639 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -106.39 125.13 33.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 61.54 110.391 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.28 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 65.41 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 934' ' ' GLU . . . . . 0.639 ' HG2' HG22 ' A' ' 932' ' ' THR . 4.5 pt-20 -56.41 -27.29 56.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.33 110.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 935' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 982' ' ' LEU . 33.2 t80 -65.01 -24.67 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.23 111.01 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.549 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.6 ptpt -63.8 -15.74 59.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 71.02 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -105.12 2.4 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.53 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.425 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.6 mt -111.17 -20.33 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.01 109.279 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.32 150.21 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 62.22 110.977 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 940' ' ' ILE . . . . . 0.671 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.04 137.1 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 64.02 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 941' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -96.27 134.62 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 73.13 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.638 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -110.58 122.41 47.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 64.43 110.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -49.72 104.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 53.24 110.262 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 944' ' ' ASN . . . . . 0.972 HD22 ' HB3' ' A' ' 946' ' ' ALA . 11.0 t-20 -153.4 130.34 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 65.11 109.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.408 ' CB ' ' NZ ' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -96.65 -7.91 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.2 109.26 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.972 ' HB3' HD22 ' A' ' 944' ' ' ASN . . . -63.11 -13.66 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 64.3 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 947' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.8 mm? -103.39 -77.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 73.4 109.251 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 948' ' ' GLN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -56.7 161.18 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 64.35 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 949' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 18.2 mttp -147.11 -176.09 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 73.41 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -96.73 67.04 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 62.44 109.37 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 6.7 p -110.45 167.57 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 63.45 108.259 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -122.84 0.21 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 63.33 109.283 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 953' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 954' ' ' TYR . 1.1 m-20 -89.87 -23.79 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 73.24 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 954' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 953' ' ' ASP . 5.0 m-85 -175.33 100.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 74.12 111.045 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 955' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 973' ' ' VAL . 15.5 tm0? -77.28 139.25 39.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 75.31 110.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 956' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -118.33 155.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 65.41 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 1.9 m120 -99.71 -26.58 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 72.31 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.61 -137.77 5.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 41.52 111.046 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -125.51 129.82 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 61.44 110.323 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 960' ' ' ILE . . . . . 0.474 ' CD1' ' CD1' ' A' ' 982' ' ' LEU . 5.8 pt -86.48 136.74 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 71.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 961' ' ' ILE . . . . . 0.788 HG22 ' HA ' ' A' ' 967' ' ' ALA . 22.6 pt -137.16 145.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 61.42 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.3 p -62.04 -174.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 70.25 108.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 963' ' ' LYS . . . . . 0.671 ' HE2' HD11 ' A' ' 940' ' ' ILE . 2.3 mmmm -59.11 -51.63 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 72.11 109.324 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.77 -40.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.12 108.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 119.23 31.88 1.34 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.553 1.158 . . . . 73.34 110.973 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 20.7 tp60 -90.2 121.74 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 54.3 110.335 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 967' ' ' ALA . . . . . 0.788 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.63 98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 54.34 109.324 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 3.9 m0 -73.73 -36.89 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 71.1 108.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 969' ' ' GLY . . . . . 0.683 ' C ' ' HZ1' ' A' ' 983' ' ' LYS . . . 174.28 -126.94 1.25 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 61.31 110.991 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 970' ' ' THR . . . . . 0.568 HG23 ' NZ ' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -146.68 152.88 39.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 64.1 110.42 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 971' ' ' MET . . . . . 0.558 ' O ' HG23 ' A' ' 956' ' ' ILE . 18.3 tpp -97.39 92.54 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.14 111.022 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.2 mtp -81.82 149.19 28.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.43 111.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 6.4 t -123.2 150.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 70.14 109.291 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 974' ' ' HIS . . . . . 0.462 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 3.5 t-80 -140.1 101.53 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 73.51 109.641 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 975' ' ' LYS . . . . . 0.412 ' HB2' ' HZ2' ' A' ' 975' ' ' LYS . 5.2 mtmp? 60.65 24.66 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 64.54 109.298 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.13 -0.21 56.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 33.21 110.975 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 0.8 OUTLIER -79.35 164.13 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 71.24 109.276 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 978' ' ' ASP . . . . . 0.788 ' N ' HD13 ' A' ' 977' ' ' LEU . 1.0 OUTLIER -112.68 119.78 39.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 62.23 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.639 ' CD2' ' CZ ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -140.21 96.41 8.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.12 109.276 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.96 8.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 75.33 111.05 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.07 103.79 13.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.44 108.272 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 982' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 935' ' ' PHE . 0.4 OUTLIER -76.9 164.64 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 74.23 109.313 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 983' ' ' LYS . . . . . 0.683 ' HZ1' ' C ' ' A' ' 969' ' ' GLY . 24.0 mttt -129.65 117.21 20.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 65.01 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 984' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.5 mt -58.12 -23.3 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 54.32 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.1 OUTLIER -69.97 -5.94 29.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.32 110.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 986' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 16.0 m120 -128.13 2.42 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 74.31 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 16.7 m-85 -123.0 -175.87 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 70.21 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 159.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.34 109.297 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 989' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.89 119.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 60.22 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.612 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -117.84 119.87 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.14 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 991' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -81.69 136.93 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.42 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -85.94 -39.76 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 53.12 109.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 993' ' ' ASN . . . . . 0.511 ' OD1' HD13 ' A' ' 902' ' ' LEU . 3.3 m-20 -40.77 -55.57 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.43 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.44 139.22 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 72.23 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 1.4 m -58.11 93.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 73.1 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 8.8 m -150.11 155.14 39.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 65.24 110.361 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 108.83 9.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 62.12 109.236 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.02 159.44 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 72.13 109.269 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -134.64 108.08 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 61.45 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1000 ' ' TYR . . . . . 0.513 ' CD1' HG21 ' A' ' 989' ' ' VAL . 39.8 m-85 -95.79 -176.11 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 72.11 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1001 ' ' LYS . . . . . 0.508 ' CA ' HG22 ' A' ' 984' ' ' ILE . 1.7 pttm -120.23 -49.16 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 70.43 109.245 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1002 ' ' LYS . . . . . 0.514 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -119.29 158.83 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.41 109.312 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1003 ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 984' ' ' ILE . 56.3 m95 -70.75 -18.77 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.34 107.968 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1004 ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -70.53 -30.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.21 109.284 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -66.34 -23.92 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 65.4 110.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' 1006 ' ' LEU . 7.5 tp -68.3 113.07 13.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 72.13 109.293 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1007 ' ' PRO . . . . . 0.486 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.01 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 65.54 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1008 ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.61 131.51 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 75.52 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -72.78 153.96 40.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.33 110.376 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1010 ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 928' ' ' HIS . 9.3 m-85 -128.11 165.99 26.97 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 75.53 111.023 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 74.03 110.975 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -145.27 106.47 4.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.05 109.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1013 ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -121.5 122.84 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.24 109.345 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.34 163.97 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.41 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1015 ' ' TYR . . . . . 0.639 ' CZ ' ' CD2' ' A' ' 979' ' ' LEU . 20.4 m-30 -84.68 -39.99 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.33 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.7 t -39.45 -30.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 73.41 109.998 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1017 ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' 1015 ' ' TYR . 9.5 mm-40 -45.89 -50.36 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 64.2 110.315 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 82.0 m -103.56 120.95 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 54.13 108.243 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1019 ' ' CYS . . . . . 0.614 ' C ' HD23 ' A' 1020 ' ' LEU . 5.6 p -123.59 62.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 75.25 108.294 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' 1020 ' ' LEU . 0.7 OUTLIER -101.2 -48.15 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 62.33 109.31 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1021 ' ' PHE . . . . . 0.457 ' CZ ' HD23 ' A' ' 977' ' ' LEU . 6.2 m-85 -75.17 -0.36 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.11 111.024 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.56 46.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 61.42 110.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.0 16.49 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 74.53 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.0 -179.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 54.13 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.42 109.32 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 28.1 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.269 -0.641 . . . . 74.400000000000006 109.269 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -106.65 126.91 29.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.019999999999996 109.286 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.56 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.99 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 62.530000000000001 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.8 t -83.9 -25.83 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 -23.6 22.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 72.329999999999998 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.563 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -99.66 156.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.845 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.91 160.0 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 62.509999999999998 110.391 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.85 139.94 34.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 72.129999999999995 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.1 mt -134.18 175.89 9.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.240000000000002 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.491 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.7 t -91.33 121.7 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.948 -1.024 . . . . 63.020000000000003 110.949 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -52.61 -59.87 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 74.140000000000001 109.297 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -45.86 -58.41 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.439999999999998 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.14 -101.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 62.219999999999999 108.27 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.56 42.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 75.150000000000006 109.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.73 134.37 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 53.219999999999999 109.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.845 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.98 106.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 42.549999999999997 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.15 -35.52 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 70.319999999999993 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.83 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.12 168.96 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 64.420000000000002 108.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.423 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.1 m -108.7 158.45 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 54.100000000000001 110.015 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.55 88.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.958 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.3 pt-20 -65.29 -24.49 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 72.150000000000006 110.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -93.06 30.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 109.29 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.37 152.34 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 72.340000000000003 109.355 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -118.95 156.65 29.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 71.420000000000002 109.613 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 72.230000000000004 109.269 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.338 -0.616 . . . . 73.439999999999998 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 4.6 t-20 -97.49 96.74 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 63.520000000000003 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 57.1 mmm -83.27 46.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 52.030000000000001 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.83 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.4 OUTLIER -106.29 121.27 45.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 110.422 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 73.129999999999995 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -59.97 -29.09 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 63.409999999999997 110.29 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 70.6 t80 -66.4 -21.55 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.420000000000002 110.965 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.584 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.94 -15.23 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.310000000000002 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.17 6.06 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 75.340000000000003 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 935' ' ' PHE . 7.5 mt -112.27 -13.36 13.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 109.269 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.671 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.64 150.39 48.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.349999999999994 111.002 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.702 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -126.65 137.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 51.119999999999997 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.671 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.69 134.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.847 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -108.42 142.08 39.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 61.32 110.309 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -66.18 104.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 71.510000000000005 110.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.7 t30 -155.26 131.24 10.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -96.59 -8.69 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.439999999999998 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.511 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.37 -13.9 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 52.409999999999997 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.7 mm? -104.13 -76.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 75.219999999999999 110.347 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.485 HE22 ' NE2' ' A' ' 948' ' ' GLN . 35.8 tp60 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.295 -0.261 . . . . 72.030000000000001 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 971' ' ' MET . 1.3 mm -111.95 156.63 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 72.349999999999994 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . 0.499 ' ND2' HG21 ' A' ' 973' ' ' VAL . 0.9 OUTLIER -95.69 -27.82 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.43 -137.88 5.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 71.120000000000005 110.995 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.04 122.19 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 72.109999999999999 110.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.539 HG22 HG23 ' A' ' 941' ' ' VAL . 5.6 pt -78.44 136.39 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 70.439999999999998 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.847 HD11 ' HD3' ' A' ' 942' ' ' ARG . 30.7 pt -138.12 144.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.240000000000002 109.332 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -62.88 -174.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 108.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.702 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.31 -51.53 69.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 61.350000000000001 109.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.3 m -56.11 -40.32 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.409999999999997 108.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 120.12 35.69 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 64.450000000000003 111.033 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 32.3 tp60 -94.28 116.82 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 53.399999999999999 110.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.44 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 41.200000000000003 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -71.76 -28.72 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 107.99 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.557 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.59 -117.45 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 74.150000000000006 110.995 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -155.97 156.06 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 63.539999999999999 110.417 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 956' ' ' ILE . 17.3 tpp -101.83 97.51 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.012 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 23.6 mtp -82.09 145.4 30.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 65.420000000000002 110.99 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 2.7 t -126.62 144.96 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.230000000000004 109.281 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.1 t-80 -133.86 98.61 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 109.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 1.8 mttp 60.75 20.16 10.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.020000000000003 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.58 8.52 28.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.4 tp -79.41 164.85 23.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 72.510000000000005 109.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -122.54 106.83 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 54.130000000000003 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -133.73 96.64 16.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.310000000000002 109.266 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.476 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -75.01 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 60.450000000000003 111.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.29 105.61 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 71.439999999999998 108.34 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.98 166.01 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 72.299999999999997 109.281 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.413 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.8 mttt -129.53 122.2 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 73.049999999999997 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -58.9 -19.31 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.85 -6.52 42.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.4 m-20 -124.21 -1.12 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 72.340000000000003 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.8 m-85 -121.63 -176.54 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 72.340000000000003 111.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.502 HG11 ' NZ ' ' A' ' 997' ' ' LYS . 11.2 t -138.54 160.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 63.140000000000001 109.257 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.532 HG11 HD11 ' A' 1006 ' ' LEU . 2.8 t -123.71 119.8 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.400000000000006 109.275 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -113.9 122.41 67.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 51.219999999999999 109.26 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.563 ' CD1' HG22 ' A' ' 903' ' ' ILE . 59.2 m-85 -84.75 135.88 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.200000000000003 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.304 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.502 ' NZ ' HG11 ' A' ' 988' ' ' VAL . 9.0 ttmm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.32 -0.622 . . . . 64.510000000000005 109.32 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.72 131.84 53.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 65.349999999999994 109.312 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.98 111.37 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.540000000000006 110.289 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 94.9 m-85 -102.88 -170.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.510000000000005 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 48.9 pttt -128.01 -46.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.354 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.671 ' HB3' HG12 ' A' 1004 ' ' VAL . 35.7 mttt -120.7 156.03 32.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 74.409999999999997 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.704 ' HA ' HD12 ' A' ' 984' ' ' ILE . 26.3 m95 -67.6 -24.79 65.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.219999999999999 108.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.671 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -62.78 -29.8 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.340000000000003 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.98 -21.39 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CZ ' ' A' 1010 ' ' PHE . 6.5 tp -68.24 113.16 13.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.02 -1.51 11.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 61.310000000000002 110.977 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.2 132.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.9 m -76.37 137.68 39.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 75.019999999999996 110.39 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' A' 1006 ' ' LEU . 4.1 m-85 -112.23 165.52 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 111.031 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 73.319999999999993 110.965 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.279 -0.637 . . . . 70.510000000000005 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -126.56 122.7 23.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 73.099999999999994 109.273 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.543 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 34.340000000000003 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 6.9 t -84.57 -23.91 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.120000000000005 109.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 1.4 mt -88.87 -26.42 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 109.316 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.604 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.6 OUTLIER -96.26 150.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 71.299999999999997 109.329 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.839 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.65 160.85 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 110.389 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.571 ' O ' HD23 ' A' ' 906' ' ' LEU . 8.6 m-30 -100.61 141.89 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 43.350000000000001 110.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.1 mt -135.92 175.27 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.340000000000003 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.507 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.7 t -90.56 121.53 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.012 -0.995 . . . . 72.109999999999999 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -51.96 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.099999999999994 109.31 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.23 -57.9 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 65.230000000000004 109.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -99.9 -101.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 65.420000000000002 108.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.5 t 155.83 42.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 53.420000000000002 109.994 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.05 132.68 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 51.310000000000002 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.68 107.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 64.319999999999993 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.413 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.17 -35.11 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 55.439999999999998 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.975 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.41 170.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 64.340000000000003 108.332 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 10.8 t -100.62 163.3 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 72.209999999999994 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . 0.531 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -69.64 -29.18 71.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 65.450000000000003 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 14.4 pt-20 -83.77 -19.59 34.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 73.200000000000003 110.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.32 22.6 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.010000000000005 109.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -120.25 156.85 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 63.409999999999997 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -117.19 157.86 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 74.129999999999995 109.616 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 109.28 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.296 -0.631 . . . . 64.109999999999999 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -96.75 95.94 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 44.229999999999997 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.1 mmm -84.19 46.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.975 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -104.63 122.47 43.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 75.099999999999994 110.372 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 73.310000000000002 111.013 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.565 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -59.47 -28.55 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 73.430000000000007 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 83.9 t80 -69.0 -18.75 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 65.540000000000006 110.988 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.22 -17.61 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 65.329999999999998 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.93 4.48 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 61.340000000000003 110.321 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.554 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.1 mt -108.58 -11.85 15.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 63.109999999999999 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.95 149.95 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.85 137.54 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.540000000000006 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.32 136.99 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 73.519999999999996 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -113.69 138.93 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 70.310000000000002 110.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.3 104.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 75.010000000000005 110.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.556 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 1.7 t30 -157.46 117.33 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 52.420000000000002 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -86.7 -9.16 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.556 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -61.47 -14.87 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.319999999999993 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.512 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -105.91 -59.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.502 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 73.349999999999994 110.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.448 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.3 tp60 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.295 -0.261 . . . . 74.040000000000006 110.295 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.06 158.33 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 60.100000000000001 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.76 -25.46 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.5 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.29 -137.09 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 41.020000000000003 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.63 131.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 75.409999999999997 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.7 pt -86.41 131.96 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.708 HG22 ' HA ' ' A' ' 967' ' ' ALA . 24.6 pt -133.98 142.85 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.0 OUTLIER -61.9 -174.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 34.039999999999999 108.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.792 ' HA ' ' HZ3' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.93 -51.58 69.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 109.327 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.76 -39.24 70.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 108.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.17 37.33 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 61.399999999999999 111.008 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.1 tp60 -96.72 118.21 32.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 73.140000000000001 110.3 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.708 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.03 99.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 51.439999999999998 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.554 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 6.3 m0 -72.25 -31.1 65.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 108.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.99 -123.45 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 63.420000000000002 111.015 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.3 149.58 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 74.439999999999998 110.464 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 956' ' ' ILE . 24.8 tpp -97.25 93.22 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 110.993 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 25.6 mtp -81.92 147.89 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 54.450000000000003 110.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.2 t -123.77 145.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.420000000000002 109.278 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.571 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.9 t-80 -134.18 100.41 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.120000000000005 109.539 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.519 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 18.8 mttm 61.02 20.94 11.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.120000000000005 109.287 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.7 37.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 8.4 tp -79.48 166.38 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.319999999999993 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -122.57 100.89 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 70.150000000000006 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.1 OUTLIER -124.49 96.5 41.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.319999999999993 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 71.420000000000002 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 105.13 17.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 64.439999999999998 108.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -86.03 167.45 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 70.239999999999995 109.285 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 20.6 mttt -128.38 122.54 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 75.239999999999995 109.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -60.22 -17.91 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.539999999999999 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.47 -11.68 60.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.5 110.265 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -118.48 -6.28 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.010000000000005 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.4 m-85 -114.83 -177.87 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 111.02 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.413 HG22 HE21 ' A' ' 999' ' ' GLN . 11.8 t -140.46 156.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 65.540000000000006 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -121.12 119.47 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 72.5 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -115.71 124.26 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.010000000000005 109.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.604 ' CD1' HG22 ' A' ' 903' ' ' ILE . 60.9 m-85 -84.83 136.5 33.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 70.140000000000001 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 72.109999999999999 109.316 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.433 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.3 ttmt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.309 -0.626 . . . . 71.439999999999998 109.309 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.52 138.66 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . 0.413 HE21 HG22 ' A' ' 988' ' ' VAL . 8.2 tt0 -119.31 112.78 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 73.200000000000003 110.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 97.1 m-85 -105.46 -170.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 111.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.576 ' CA ' HG22 ' A' ' 984' ' ' ILE . 21.2 pttt -129.34 -45.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.450000000000003 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.637 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.9 mmtp -117.14 150.31 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 109.271 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.77 ' HA ' HD12 ' A' ' 984' ' ' ILE . 43.3 m95 -64.88 -36.96 86.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 108.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.637 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.7 OUTLIER -49.58 -28.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 75.010000000000005 109.323 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.230000000000004 110.349 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.901 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -50.24 110.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 72.5 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.428 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 0.1 9.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 73.400000000000006 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -92.7 134.3 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.409999999999997 109.297 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -70.16 150.79 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 63.409999999999997 110.377 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.901 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.1 m-85 -126.3 165.61 26.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 61.200000000000003 111.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 65.319999999999993 111.014 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 6.5 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 73.450000000000003 109.326 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.85 127.31 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 61.43 109.317 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.03 0.27 9.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.517 1.798 . . . . 35.229999999999997 111.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 11.7 t -84.09 -27.28 28.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.340000000000003 109.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -23.34 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 109.335 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.81 154.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 63.130000000000003 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.835 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.36 159.07 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.530000000000001 110.422 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.8 m-30 -100.21 138.32 37.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 913' ' ' LEU . 1.0 OUTLIER -132.47 177.34 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 109.352 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.9 t -90.71 125.26 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.993 -1.003 . . . . 74.450000000000003 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -55.33 -59.4 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.409999999999997 109.306 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -46.35 -57.96 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.299999999999997 109.331 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.1 m -98.87 -101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 74.120000000000005 108.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.6 OUTLIER 154.08 42.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 72.439999999999998 110.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 136.99 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 73.530000000000001 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.88 106.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.140000000000001 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.408 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.26 -34.93 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 70.329999999999998 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.411 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.7 p -176.31 161.52 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 42.140000000000001 108.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.695 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.58 158.44 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 70.140000000000001 109.984 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.46 -46.85 57.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 55.32 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -60.89 -28.97 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 53.409999999999997 110.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -93.98 31.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 54.219999999999999 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.718 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.56 145.0 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 71.310000000000002 109.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -109.12 175.45 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.209999999999994 109.623 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 71.040000000000006 109.325 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.518 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.5 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.269 -0.641 . . . . 60.109999999999999 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.718 ' OD1' HD13 ' A' ' 920' ' ' ILE . 62.7 t30 -102.57 96.02 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 71.120000000000005 109.315 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.8 mtt -82.5 47.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 75.129999999999995 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -107.77 127.01 28.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 63.420000000000002 110.412 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 74.540000000000006 111.027 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.64 ' HG2' HG22 ' A' ' 932' ' ' THR . 11.4 pt-20 -55.37 -32.79 62.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.340000000000003 110.311 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 53.7 t80 -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.510000000000005 110.965 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.7 ptpt -63.83 -16.12 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 65.010000000000005 109.28 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.1 3.24 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 54.219999999999999 110.258 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.532 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -112.27 -18.2 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 72.230000000000004 109.284 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.665 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.56 149.64 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 64.299999999999997 110.966 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.09 137.13 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 109.339 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.665 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -99.68 131.36 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 54.450000000000003 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.614 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -106.23 121.22 43.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 110.316 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -46.56 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.430000000000007 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.5 t30 -158.14 129.56 6.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -96.5 -7.27 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.23 -13.15 47.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 43.009999999999998 109.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.87 -58.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.120000000000005 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.53 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 72.230000000000004 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.6 tm0? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 72.519999999999996 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.53 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -103.96 159.45 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 72.439999999999998 109.259 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -101.99 -25.88 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 71.150000000000006 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.72 -137.79 5.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 64.150000000000006 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -125.61 129.23 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 70.310000000000002 110.246 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.423 HG22 HG23 ' A' ' 941' ' ' VAL . 20.5 pt -89.08 130.41 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 72.099999999999994 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.816 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.6 pt -130.82 149.35 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 60.240000000000002 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.65 -174.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.210000000000001 108.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.6 mmmm -61.32 -51.74 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 54.100000000000001 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.0 m -55.34 -36.01 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 42.43 108.292 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.13 35.57 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.4 tp60 -92.94 123.51 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 55.520000000000003 110.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.816 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.43 95.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 70.219999999999999 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.7 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -69.8 -42.56 73.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.540000000000006 107.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.466 ' CA ' ' HD3' ' A' ' 983' ' ' LYS . . . 174.34 -123.68 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 73.430000000000007 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 2.9 p -146.06 170.07 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 74.030000000000001 110.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.48 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -116.08 96.75 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 110.998 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 7.7 mtp -82.04 154.42 25.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 64.409999999999997 110.988 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -126.35 148.6 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 52.149999999999999 109.278 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -139.63 102.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 74.019999999999996 109.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 7.6 mttp 61.54 24.01 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.21 2.35 55.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 64.040000000000006 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.86 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.41 166.93 21.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 75.450000000000003 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.714 ' N ' HD23 ' A' ' 977' ' ' LEU . 99.0 m-20 -116.4 118.0 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.140000000000001 109.328 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 979' ' ' LEU . 0.2 OUTLIER -135.54 96.46 13.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 72.109999999999999 109.338 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.01 116.63 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 73.519999999999996 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . 0.548 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.6 m -95.43 114.59 26.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 70.510000000000005 108.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -100.6 146.07 27.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 61.409999999999997 109.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -108.75 125.26 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.310000000000002 109.28 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.5 mt -58.76 -25.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.3 ptp180 -67.05 -7.54 23.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 71.510000000000005 110.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.8 m-20 -120.16 -3.37 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.219999999999999 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.7 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.6 m-85 -122.84 -175.74 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.25 111.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.478 HG22 HE21 ' A' ' 999' ' ' GLN . 9.3 t -139.89 160.09 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 109.275 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.66 123.23 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 71.430000000000007 109.273 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -117.43 119.34 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 903' ' ' ILE . 40.1 m-85 -80.38 135.2 36.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.150000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 109.307 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.519 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.0 ttpp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.337 -0.616 . . . . 71.349999999999994 109.337 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -107.0 129.0 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 74.230000000000004 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . 0.478 HE21 HG22 ' A' ' 988' ' ' VAL . 10.5 tt0 -106.92 109.64 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.420000000000002 110.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.461 ' CB ' HG21 ' A' ' 984' ' ' ILE . 94.7 m-85 -101.41 -172.84 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 71.030000000000001 111.041 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.7 pttt -123.86 -49.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.729 ' HB3' HG12 ' A' 1004 ' ' VAL . 31.4 mttt -118.7 160.69 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.563 ' HA ' HD12 ' A' ' 984' ' ' ILE . 37.2 m95 -72.33 -22.41 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 72.140000000000001 108.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.729 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -63.75 -21.03 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -77.99 -28.47 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.439999999999998 110.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -61.2 111.32 4.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 109.291 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.05 -0.19 9.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 72.219999999999999 110.968 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.38 137.02 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 3.4 t -72.0 158.56 35.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 53.509999999999998 110.379 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.562 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.1 m-85 -139.91 165.7 29.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.510000000000005 110.983 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 75.439999999999998 110.989 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 75.209999999999994 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -112.1 127.61 26.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 54.399999999999999 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.512 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -75.01 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 63.409999999999997 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.9 -26.57 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 43.439999999999998 109.987 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.4 -22.98 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 109.291 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -102.22 151.96 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 71.010000000000005 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.832 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.31 161.63 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.43 110.406 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.83 141.4 33.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 62.020000000000003 111.027 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -135.6 175.85 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 62.219999999999999 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.8 t -91.0 122.09 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.966 -1.015 . . . . 74.450000000000003 110.931 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -52.04 -60.53 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.284 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -45.83 -59.95 2.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 109.277 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.8 m -97.41 -100.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 108.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.7 m 153.93 42.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.150000000000006 109.99 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.32 132.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 25.530000000000001 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -63.23 108.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.422 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.46 -34.68 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 52.109999999999999 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.2 p -178.65 162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 70.510000000000005 108.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.31 157.09 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.985 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -51.36 -46.52 52.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 64.420000000000002 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.405 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.7 pp20? -63.26 -27.72 69.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 55.530000000000001 110.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.85 31.28 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 63.020000000000003 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.524 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.45 156.59 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 53.109999999999999 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -122.48 162.48 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.540000000000006 109.623 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 73.200000000000003 109.316 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.343 -0.614 . . . . 75.209999999999994 109.343 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.04 95.84 6.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 71.530000000000001 109.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.9 mmt -84.51 46.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 72.109999999999999 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.416 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -104.71 123.85 38.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 63.299999999999997 110.397 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 71.549999999999997 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 932' ' ' THR . 12.0 pt-20 -59.16 -34.28 71.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 64.109999999999999 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 938' ' ' LEU . 70.0 t80 -59.97 -20.3 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 63.25 111.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -65.02 -16.44 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.11 6.03 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.140000000000001 110.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 935' ' ' PHE . 13.5 mt -110.75 -17.16 13.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -125.37 151.51 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 110.982 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.5 mt -124.96 137.96 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.668 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.53 137.27 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 109.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.745 ' HD3' HD11 ' A' ' 961' ' ' ILE . 1.1 mpt_? -113.98 120.91 42.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -47.91 104.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 65.140000000000001 110.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -153.9 129.64 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.200000000000003 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -8.17 31.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.230000000000004 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.04 -13.4 35.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 52.350000000000001 109.312 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.32 -58.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 75.030000000000001 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.535 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.439999999999998 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 973' ' ' VAL . 6.7 tm0? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.332 -0.247 . . . . 32.310000000000002 110.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -109.83 157.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 73.099999999999994 109.33 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -106.01 -23.11 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 73.120000000000005 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 165.71 -153.9 24.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.167 . . . . 74.530000000000001 110.965 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -119.72 122.11 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.310000000000002 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.668 HG22 HG23 ' A' ' 941' ' ' VAL . 14.7 pt -79.71 134.28 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 64.349999999999994 109.26 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.841 HG22 ' HA ' ' A' ' 967' ' ' ALA . 27.7 pt -136.48 148.32 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 73.439999999999998 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.25 -175.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.430000000000007 108.26 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.41 -51.84 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.255 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 6.9 m -55.02 -38.41 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.209999999999994 108.305 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.42 33.44 1.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.554 1.159 . . . . 72.420000000000002 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.9 tp60 -92.65 123.49 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 74.439999999999998 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.841 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.78 101.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.140000000000001 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 4.9 m0 -76.78 -36.98 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 108.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 970' ' ' THR . . . 174.29 -127.74 1.36 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 72.030000000000001 110.991 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.609 HG23 ' HZ1' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -154.22 138.68 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 72.030000000000001 110.412 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.552 ' O ' HG23 ' A' ' 956' ' ' ILE . 1.3 ttm -85.79 105.95 16.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.219999999999999 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 9.7 mtm -81.85 169.37 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 53.439999999999998 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 955' ' ' GLN . 21.2 t -140.16 136.2 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.540000000000006 109.338 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.477 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -129.91 100.19 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 60.020000000000003 109.612 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.9 mttp 60.66 18.75 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 42.25 109.269 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.35 27.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 111.011 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 14.6 tp -85.47 166.68 16.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 71.430000000000007 109.283 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -118.83 113.39 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.275 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -139.24 102.26 7.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 122.73 7.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 55.549999999999997 110.972 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.81 100.69 10.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 108.274 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -81.51 165.38 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.289 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.609 ' HZ1' HG23 ' A' ' 970' ' ' THR . 40.2 mttt -128.69 122.37 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -59.11 -22.09 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.040000000000006 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 2.9 ptt180 -70.43 -5.93 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 54.140000000000001 110.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.9 m-20 -124.56 -0.01 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.2 m-85 -122.9 -176.19 3.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 71.209999999999994 110.971 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.436 HG22 HE21 ' A' ' 999' ' ' GLN . 10.6 t -140.92 157.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.520000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.41 122.51 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 75.430000000000007 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.1 t -114.66 120.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.439999999999998 109.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 903' ' ' ILE . 30.7 m-85 -82.61 134.64 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 71.040000000000006 111.042 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 52.009999999999998 109.299 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 990' ' ' VAL . 3.0 ttpp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.248 -0.649 . . . . 53.439999999999998 109.248 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' 1000 ' ' TYR . 4.3 mptt -104.62 129.04 52.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . 0.436 HE21 HG22 ' A' ' 988' ' ' VAL . 13.5 tt0 -107.87 108.25 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 71.439999999999998 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.469 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.6 m-85 -101.26 -171.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.555 ' CA ' HG22 ' A' ' 984' ' ' ILE . 47.3 pttt -129.7 -45.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 72.519999999999996 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.593 ' HB3' HG12 ' A' 1004 ' ' VAL . 17.5 mmtp -117.41 149.65 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.298 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 42.7 m95 -63.89 -38.98 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 75.310000000000002 108.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.593 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.6 OUTLIER -48.03 -25.86 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.25 109.278 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.81 -40.08 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 62.130000000000003 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.794 HD23 ' CZ ' ' A' 1010 ' ' PHE . 7.2 tp -50.49 107.08 0.73 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.230000000000004 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.453 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.01 1.04 8.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 73.340000000000003 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.36 135.62 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.439999999999998 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.0 t -69.82 144.76 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.109999999999999 110.411 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.794 ' CZ ' HD23 ' A' 1006 ' ' LEU . 5.4 m-85 -124.82 165.83 23.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 62.119999999999997 111.03 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 71.25 110.986 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.8 t-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.272 -0.64 . . . . 75.209999999999994 109.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -119.58 126.0 27.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 64.099999999999994 109.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 42.409999999999997 110.968 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.69 -26.02 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.200000000000003 109.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.4 OUTLIER -86.66 -24.98 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.219999999999999 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -100.11 152.54 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.150000000000006 109.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.36 159.79 42.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 110.447 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.68 139.06 36.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 61.030000000000001 111.028 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -133.83 177.26 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 54.409999999999997 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.449 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.4 t -91.93 122.47 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.971 -1.013 . . . . 73.319999999999993 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.149999999999999 109.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.82 -57.83 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 33.229999999999997 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.3 -100.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.549999999999997 108.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.9 OUTLIER 152.98 42.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 52.310000000000002 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.49 134.58 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 52.039999999999999 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.23 106.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 72.239999999999995 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.409 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.29 -35.08 18.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 55.439999999999998 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 1.002 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.1 m -178.74 160.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 71.120000000000005 108.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.665 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.3 t -105.67 162.19 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.120000000000005 110.007 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -57.73 -45.97 92.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 111.047 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.41 -17.41 62.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 73.209999999999994 110.356 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -105.34 28.77 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.409999999999997 109.299 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.07 156.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 63.539999999999999 109.311 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -119.75 172.08 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.400000000000006 109.605 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.209999999999994 109.315 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.266 -0.642 . . . . 65.239999999999995 109.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -94.44 95.8 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 75.230000000000004 109.282 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 14.2 mtp -83.92 47.16 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 61.020000000000003 111.015 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 1.002 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 124.12 36.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 64.439999999999998 110.433 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.6 Cg_endo -74.94 -44.84 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 71.420000000000002 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.54 ' HG3' HG22 ' A' ' 932' ' ' THR . 0.0 OUTLIER -56.14 -33.85 65.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 62.439999999999998 110.306 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 938' ' ' LEU . 87.2 t80 -62.43 -20.64 64.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 110.938 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.1 ptpt -63.95 -17.78 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.04 5.09 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 65.420000000000002 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.5 mt -111.15 -10.25 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 62.020000000000003 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.72 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -130.16 151.02 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.209999999999994 111.041 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.781 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.33 140.01 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.72 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.14 124.0 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 75.219999999999999 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.704 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -101.34 123.08 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 71.319999999999993 110.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -46.55 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.504 HD21 ' N ' ' A' ' 947' ' ' LEU . 1.5 t30 -156.9 116.43 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 -8.53 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.329999999999998 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.495 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.82 -13.95 39.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.209999999999994 109.321 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.504 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.5 mm? -104.41 -57.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.502 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 64.209999999999994 110.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 973' ' ' VAL . 29.5 tp60 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.333 -0.247 . . . . 65.209999999999994 110.333 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.93 158.05 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 73.239999999999995 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.56 -25.51 13.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.17 -141.4 7.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 33.119999999999997 111.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.36 135.36 55.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 54.509999999999998 110.297 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.463 HG22 ' CE1' ' A' ' 939' ' ' TYR . 5.3 pt -93.75 128.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 40.25 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.707 HG22 ' HA ' ' A' ' 967' ' ' ALA . 19.4 pt -130.95 140.08 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 73.239999999999995 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -57.67 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 63.409999999999997 108.268 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.781 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 7.6 mmmt -62.28 -49.68 74.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 61.420000000000002 109.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -58.12 -32.26 67.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.299999999999997 108.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.44 42.4 1.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 110.978 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.3 tp60 -101.71 118.21 36.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 71.439999999999998 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.707 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.6 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.209999999999994 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.695 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.9 m0 -68.8 -34.8 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.400000000000006 107.948 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 170.39 -122.77 1.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 73.540000000000006 111.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.72 151.51 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 75.25 110.362 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 956' ' ' ILE . 19.1 tpp -95.38 92.53 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 61.350000000000001 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.82 151.94 27.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.25 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.8 t -125.57 150.15 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 64.099999999999994 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.634 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.3 t-80 -142.34 103.45 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 70.430000000000007 109.567 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 15.4 mttp 62.51 23.2 13.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 52.009999999999998 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.58 0.66 57.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 25.109999999999999 111.027 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.832 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.24 162.35 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 53.439999999999998 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.832 ' H ' HD13 ' A' ' 977' ' ' LEU . 2.6 p30 -110.63 116.02 30.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 61.109999999999999 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -135.84 96.17 13.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.019999999999996 109.339 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.436 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.95 116.47 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 62.399999999999999 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.19 104.53 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 52.25 108.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -86.42 166.87 15.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 53.520000000000003 109.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.411 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 18.1 mttt -128.67 122.39 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 45.25 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.8 mt -58.68 -18.55 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.129999999999995 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -6.34 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.150000000000006 110.372 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.5 m-20 -124.57 -0.85 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 109.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.5 m-85 -121.86 -176.28 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 63.310000000000002 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 19.7 t -137.38 160.97 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 109.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.04 116.93 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 75.219999999999999 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.7 t -113.88 124.26 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.120000000000005 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -82.41 137.46 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 70.040000000000006 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 902' ' ' LEU . 26.8 ttpp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 109.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.2 ttpt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 61.140000000000001 109.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.04 129.78 54.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 63.420000000000002 109.312 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -107.07 110.9 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 64.319999999999993 110.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.0 m-85 -102.79 -171.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.230000000000004 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.1 pttm -126.1 -48.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.726 ' HB3' HG12 ' A' 1004 ' ' VAL . 19.3 mttm -120.33 158.6 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.409999999999997 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.649 ' HA ' HD12 ' A' ' 984' ' ' ILE . 21.7 m95 -70.17 -24.45 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.349999999999994 107.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -61.19 -21.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 65.530000000000001 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.99 -26.57 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 110.331 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.44 112.36 5.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.25 109.377 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -74.99 -5.65 17.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 74.450000000000003 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.28 133.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.219999999999999 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.3 t -69.99 151.83 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.439999999999998 110.421 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.843 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.8 m-85 -129.2 163.09 48.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 71.299999999999997 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 73.340000000000003 111.019 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' 1007 ' ' PRO . 7.7 t-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 45.299999999999997 109.274 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -123.15 131.15 24.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.409999999999997 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -74.97 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 61.119999999999997 111.021 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -85.72 -24.08 27.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.035 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -23.09 20.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 70.129999999999995 109.313 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.618 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.21 159.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 75.040000000000006 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.55 162.29 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 71.430000000000007 110.364 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 920' ' ' ILE . 8.3 m-30 -103.33 137.54 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 111.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -131.04 177.24 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 65.129999999999995 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 50.4 t -92.07 120.35 32.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.023 -0.99 . . . . 53.200000000000003 110.914 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -50.7 -59.62 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 70.140000000000001 109.28 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -46.3 -59.66 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 911' ' ' SER . 79.0 m -97.17 -102.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 60.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.0 OUTLIER 155.93 40.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.349999999999994 109.969 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.81 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 74.310000000000002 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.39 106.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 71.340000000000003 109.288 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.39 -35.3 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.439999999999998 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.6 p -177.69 162.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 108.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.689 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.43 155.29 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 65.150000000000006 109.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.12 -52.22 23.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 55.210000000000001 111.029 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.429 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.5 pp20? -55.26 -30.78 60.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 74.239999999999995 110.289 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.91 29.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.299999999999997 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.779 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.47 149.61 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 70.040000000000006 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -114.99 170.0 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 63.210000000000001 109.574 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.312 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.283 -0.636 . . . . 73.25 109.283 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.779 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.7 t30 -97.39 96.92 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 52.039999999999999 109.262 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.2 mtt -82.52 47.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 73.129999999999995 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.463 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.5 OUTLIER -105.36 123.98 37.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.120000000000005 110.394 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 40.32 111.021 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.463 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.0 pt-20 -56.47 -31.58 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 52.240000000000002 110.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 85.5 t80 -63.29 -21.72 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 65.450000000000003 110.958 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.83 -15.99 62.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.19 6.09 32.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 63.030000000000001 110.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.592 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.9 mt -114.24 -10.28 12.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 64.200000000000003 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.1 OUTLIER -130.44 151.13 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 72.239999999999995 111.023 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.783 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.82 139.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.340000000000003 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.31 131.08 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 61.210000000000001 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.719 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.1 OUTLIER -105.75 122.3 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 72.540000000000006 110.346 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -49.42 104.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 72.430000000000007 110.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.504 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.7 t30 -157.46 130.53 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.319999999999993 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -96.67 -8.24 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.439999999999998 109.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.504 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.98 -13.51 35.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 61.130000000000003 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.7 mm? -102.58 -75.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.019999999999996 109.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.536 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 63.049999999999997 110.291 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 973' ' ' VAL . 31.4 tp60 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.293 -0.262 . . . . 72.019999999999996 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.536 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.0 157.86 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . 0.427 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -96.53 -25.72 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.56 -137.54 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 75.430000000000007 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -121.61 122.43 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 71.140000000000001 110.254 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.441 HG22 ' CE1' ' A' ' 939' ' ' TYR . 4.8 pt -80.69 134.21 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 40.340000000000003 109.294 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.719 HD11 ' HD3' ' A' ' 942' ' ' ARG . 21.1 pt -134.3 139.92 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.329999999999998 109.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -58.63 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.100000000000001 108.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.783 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 8.5 mmmt -63.29 -49.38 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 73.200000000000003 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.1 m -57.93 -31.76 67.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 70.129999999999995 108.258 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.05 41.99 1.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 111.005 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.425 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.7 tp60 -102.85 117.96 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 71.310000000000002 110.283 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.686 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.05 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.519999999999996 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.657 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.0 m0 -68.83 -32.29 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 70.439999999999998 108.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' THR . . . 168.09 -114.86 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 63.310000000000002 111.046 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -157.06 156.95 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 71.420000000000002 110.399 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.3 tpp -100.26 95.33 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . 0.447 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 34.8 mtp -81.99 147.66 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 62.329999999999998 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -125.76 143.51 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 72.219999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.544 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.0 t-80 -132.56 104.74 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 63.310000000000002 109.585 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 0.0 OUTLIER 61.7 15.42 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 71.129999999999995 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.86 4.42 33.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 25.02 111.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 10.8 tp -79.32 166.31 22.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 54.030000000000001 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.34 112.33 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 70.409999999999997 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -135.69 96.38 13.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 109.338 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.457 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.98 116.49 4.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 75.549999999999997 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.09 106.47 18.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 108.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 987' ' ' PHE . 0.9 OUTLIER -87.86 169.73 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 54.539999999999999 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.425 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 6.1 mttm -131.26 122.9 27.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 73.120000000000005 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.0 mt -58.79 -18.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.400000000000006 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -72.67 -5.73 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 72.200000000000003 110.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.9 m-20 -125.46 -0.19 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 70.5 109.305 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.657 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.3 m-85 -122.37 -176.28 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.468 HG22 HE21 ' A' ' 999' ' ' GLN . 12.7 t -139.92 162.77 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 75.140000000000001 109.316 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.56 123.63 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.286 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.765 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -113.69 114.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 903' ' ' ILE . 55.5 m-85 -84.89 118.67 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 71.030000000000001 110.921 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 71.420000000000002 109.321 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.765 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.3 ttpp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.633 . . . . 71.510000000000005 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -108.03 157.59 18.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . 0.468 HE21 HG22 ' A' ' 988' ' ' VAL . 8.9 tt0 -123.99 107.92 11.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 64.040000000000006 110.314 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 92.6 m-85 -98.79 -171.62 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.200000000000003 111.017 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.53 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.3 pttt -127.03 -47.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 75.200000000000003 109.244 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.497 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 74.129999999999995 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.758 ' HA ' HD12 ' A' ' 984' ' ' ILE . 29.7 m95 -67.53 -26.32 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 70.409999999999997 108.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.497 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -61.67 -31.8 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 63.32 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.26 -22.84 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.845 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -62.34 112.43 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 63.399999999999999 109.294 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.456 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 62.210000000000001 111.013 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.46 134.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.329999999999998 109.255 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -71.17 146.36 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 62.200000000000003 110.387 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.845 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.2 m-85 -124.83 165.21 26.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.299999999999997 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 50.229999999999997 110.993 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' 1007 ' ' PRO . 29.0 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 63.450000000000003 109.282 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -102.28 125.92 34.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 75.519999999999996 109.309 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.1 Cg_endo -75.05 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 74.25 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.9 -19.82 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 62.350000000000001 110.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.62 -23.71 18.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 74.299999999999997 109.276 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.621 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.3 OUTLIER -101.26 151.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 64.120000000000005 109.314 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.846 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -141.41 159.74 41.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.439999999999998 110.443 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.4 m-30 -100.99 139.58 36.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 63.130000000000003 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.567 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.87 176.01 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 54.5 109.329 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.484 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 49.9 t -91.08 122.85 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.009 -0.996 . . . . 73.109999999999999 110.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -52.83 -61.44 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 71.109999999999999 109.267 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -44.62 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.3 m -100.04 -101.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 54.210000000000001 108.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.0 t 154.69 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.010000000000005 109.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.03 133.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.219999999999999 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.846 HD21 HG22 ' A' ' 904' ' ' THR . 1.0 OUTLIER -61.5 106.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 24.300000000000001 109.283 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.85 -36.18 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.67 166.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 72.549999999999997 108.288 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.482 ' HB3' HG23 ' A' ' 904' ' ' THR . 0.1 OUTLIER -97.65 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 53.030000000000001 110.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -65.48 -29.73 75.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.3 pp20? -83.37 -17.26 42.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 73.099999999999994 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 19.22 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 54.520000000000003 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -118.09 157.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 54.409999999999997 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -117.85 157.17 27.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 64.340000000000003 109.598 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 71.349999999999994 109.309 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 62.509999999999998 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -97.0 95.59 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.010000000000005 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.19 47.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 53.409999999999997 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.792 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.15 124.19 36.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 63.310000000000002 110.452 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.492 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.5 Cg_endo -74.95 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 64.5 111.043 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.6 pt-20 -59.18 -28.65 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.230000000000004 110.33 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.69 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.8 t80 -68.03 -19.47 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 110.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.57 -16.26 64.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 54.130000000000003 109.329 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.24 4.34 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.420000000000002 110.267 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 935' ' ' PHE . 17.9 mt -107.9 -18.88 13.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 71.420000000000002 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -121.16 152.11 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 111.038 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.07 136.36 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.310000000000002 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.4 134.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.561 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -109.08 121.45 45.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.510000000000005 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.15 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -154.31 130.33 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 64.310000000000002 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -96.55 -8.07 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 73.439999999999998 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.21 -13.42 37.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 63.439999999999998 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.8 mm? -103.61 -76.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 74.409999999999997 109.279 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 75.530000000000001 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 973' ' ' VAL . 10.4 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.283 -0.265 . . . . 55.109999999999999 110.283 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -115.26 156.93 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 65.129999999999995 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -96.42 -26.82 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.209999999999994 109.306 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.01 -137.21 5.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 42.229999999999997 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.26 126.69 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 74.239999999999995 110.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.403 HG22 HG23 ' A' ' 941' ' ' VAL . 10.6 pt -83.97 137.17 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 65.299999999999997 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 967' ' ' ALA . 28.0 pt -138.58 143.7 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.209999999999994 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -62.88 -174.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 65.319999999999993 108.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.69 -51.12 70.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 75.420000000000002 109.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.0 m -55.99 -36.65 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 71.299999999999997 108.335 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 115.11 38.3 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 52.219999999999999 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 31.7 tp60 -97.84 118.05 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 61.219999999999999 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.768 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.69 97.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 64.340000000000003 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.2 m0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.329999999999998 108.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.75 -120.1 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 110.991 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -152.36 161.93 41.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 70.239999999999995 110.421 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.1 tpp -109.02 98.45 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.0 mtp -82.1 150.14 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 72.329999999999998 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.1 t -126.68 144.13 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 63.549999999999997 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.458 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.2 t-80 -133.21 98.16 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.430000000000007 109.631 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.458 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 10.8 mtmt 60.86 21.76 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 109.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 106.46 6.64 35.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 43.439999999999998 111.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.801 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.3 tp -79.59 166.37 21.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 71.019999999999996 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -121.83 110.93 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 70.329999999999998 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -135.01 96.65 14.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 73.319999999999993 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.511 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 54.549999999999997 110.996 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.84 105.36 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 53.439999999999998 108.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.69 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -87.21 168.95 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 62.130000000000003 109.303 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 13.4 mttt -128.61 122.82 31.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -60.44 -17.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.430000000000007 109.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.92 -11.62 60.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 63.219999999999999 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.9 m-20 -118.15 -4.59 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.140000000000001 109.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.638 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.6 m-85 -116.4 -177.58 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 73.420000000000002 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.417 HG22 ' NE2' ' A' ' 999' ' ' GLN . 11.4 t -138.02 162.02 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.140000000000001 109.291 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.84 122.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 109.269 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.3 t -113.85 120.66 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 61.009999999999998 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.621 ' CD1' HG22 ' A' ' 903' ' ' ILE . 57.4 m-85 -91.69 118.64 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 75.239999999999995 111.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.519999999999996 109.28 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.59 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.4 ttmt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.314 -0.624 . . . . 65.209999999999994 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.28 171.46 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 72.450000000000003 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 988' ' ' VAL . 12.3 tt0 -140.51 106.0 5.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 73.109999999999999 110.244 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.487 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 65.0 m-85 -93.73 -170.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 72.519999999999996 111.02 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.519 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.5 pttt -126.66 -48.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.239999999999995 109.336 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.704 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttp -119.15 157.26 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.109999999999999 109.35 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.707 ' HA ' HD12 ' A' ' 984' ' ' ILE . 34.9 m95 -68.5 -24.65 64.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 75.120000000000005 108.004 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.704 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -64.1 -31.53 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.67 -18.88 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 71.049999999999997 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.07 113.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.230000000000004 109.283 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.479 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.97 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 73.120000000000005 111.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.8 OUTLIER -87.21 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.329999999999998 109.305 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -83.13 135.23 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.394 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.647 ' CE1' HD23 ' A' 1006 ' ' LEU . 5.1 m-85 -106.65 165.03 13.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 71.329999999999998 111.024 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 64.299999999999997 110.979 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.3 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.329 -0.619 . . . . 75.25 109.329 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -107.61 125.84 31.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.01 0.71 8.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 51.420000000000002 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 17.8 t -84.1 -26.32 29.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 73.010000000000005 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.14 -24.04 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.357 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.79 158.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.420000000000002 109.317 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.848 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.94 159.56 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 63.340000000000003 110.42 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.73 139.86 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 72.099999999999994 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.95 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 74.409999999999997 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 49.2 t -90.73 122.1 33.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.995 -1.002 . . . . 54.43 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -52.82 -60.57 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 75.319999999999993 109.36 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -44.95 -57.77 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -99.96 -100.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.140000000000001 108.318 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.9 p 153.82 42.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 52.530000000000001 110.031 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.58 131.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 71.049999999999997 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -60.23 106.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.030000000000001 109.272 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -85.56 -35.76 20.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 42.329999999999998 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.68 168.24 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 53.240000000000002 108.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 904' ' ' THR . 5.9 m -106.77 156.67 18.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.25 109.996 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.09 -48.5 62.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 61.420000000000002 111.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.8 pp20? -63.19 -25.86 68.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 73.299999999999997 110.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.63 32.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 73.329999999999998 109.32 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.837 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.3 mm -133.6 147.69 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.45 156.25 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.642 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 52.43 109.273 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.344 -0.613 . . . . 53.25 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.837 ' OD1' HD13 ' A' ' 920' ' ' ILE . 63.9 t30 -101.93 95.94 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 62.420000000000002 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.9 mtt -83.99 46.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.7 OUTLIER -103.24 124.12 39.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 75.420000000000002 110.385 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 74.409999999999997 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 7.7 pt-20 -60.96 -23.42 65.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 110.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.725 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 66.8 t80 -73.44 -22.53 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.430000000000007 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.0 ptpt -65.04 -14.35 60.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 71.040000000000006 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.64 2.79 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 110.361 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 935' ' ' PHE . 10.0 mt -108.85 -22.63 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 73.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -116.47 151.2 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 111.014 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.8 mt -130.14 136.47 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 52.25 109.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.761 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -93.69 133.22 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.129999999999995 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.612 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.7 OUTLIER -114.9 122.13 45.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.450000000000003 110.275 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -47.14 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 60.310000000000002 110.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 2.2 t30 -153.29 121.67 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.329999999999998 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -89.94 -8.76 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.109999999999999 109.321 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.538 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.55 -13.91 36.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 73.329999999999998 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.508 ' N ' HD21 ' A' ' 944' ' ' ASN . 2.0 mm? -108.57 -75.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 75.230000000000004 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.409999999999997 110.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.9 tp60 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.257 -0.275 . . . . 52.140000000000001 110.257 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -115.29 158.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.25 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -107.3 -24.06 12.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.19 -137.82 5.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 72.5 111.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . 0.478 ' CG ' ' HG ' ' A' ' 947' ' ' LEU . 12.9 tt0 -128.63 132.37 48.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 64.239999999999995 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.408 HG22 ' CE1' ' A' ' 939' ' ' TYR . 11.3 pt -87.1 136.25 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.409999999999997 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.8 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.0 pt -137.16 145.04 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 73.019999999999996 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -64.4 -174.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 63.109999999999999 108.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -61.97 -50.96 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 60.420000000000002 109.276 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.8 m -56.16 -34.46 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 62.140000000000001 108.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.08 1.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 53.399999999999999 110.967 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.1 tp60 -99.94 118.85 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 73.519999999999996 110.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.8 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.09 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 74.319999999999993 109.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.3 m0 -66.43 -36.45 82.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.319999999999993 108.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.71 -128.72 1.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 62.450000000000003 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.24 151.24 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 54.399999999999999 110.415 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 956' ' ' ILE . 14.8 tpp -94.1 93.98 8.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 72.120000000000005 111.024 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 27.1 mtp -82.17 153.42 26.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 71.409999999999997 110.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.5 t -124.8 149.23 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.540000000000006 109.267 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.8 t-80 -140.02 100.97 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp 60.19 24.57 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.200000000000003 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.44 56.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 65.319999999999993 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.7 OUTLIER -79.38 162.47 25.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 64.099999999999994 109.302 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.795 ' N ' HD13 ' A' ' 977' ' ' LEU . 14.6 m-20 -109.49 115.66 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 53.310000000000002 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -134.4 96.23 15.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 74.329999999999998 109.316 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 72.209999999999994 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.66 106.37 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 61.329999999999998 108.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.725 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -88.3 166.37 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 62.329999999999998 109.279 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.41 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 19.1 mttt -128.03 124.08 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 70.099999999999994 109.289 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.571 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -59.34 -19.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 75.420000000000002 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -6.21 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 74.430000000000007 110.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 73.9 m-20 -124.28 -0.83 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 63.030000000000001 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.7 m-85 -122.09 -176.45 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 64.140000000000001 111.012 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.7 t -139.61 162.37 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 73.510000000000005 109.254 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.45 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -121.07 123.38 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.510000000000005 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.82 115.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 64.109999999999999 109.333 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.561 ' CD1' HG22 ' A' ' 903' ' ' ILE . 38.9 m-85 -85.14 118.72 24.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 72.409999999999997 111.052 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 109.257 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.72 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.5 ttpp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.298 -0.63 . . . . 54.32 109.298 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -109.42 155.53 21.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 74.349999999999994 109.327 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -121.91 105.41 10.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.430000000000007 110.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.491 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 73.7 m-85 -93.99 -172.49 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 62.329999999999998 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.529 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.3 pttt -126.31 -49.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 51.509999999999998 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' 1004 ' ' VAL . 11.1 mtpt -115.81 164.17 14.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 71.209999999999994 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.5 m95 -75.96 -14.12 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 74.319999999999993 108.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -76.02 -34.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.020000000000003 109.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.99 -19.24 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.549999999999997 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.689 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.07 115.44 40.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 74.030000000000001 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.95 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 73.099999999999994 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.14 135.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.120000000000005 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -81.09 129.19 34.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.099999999999994 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.689 ' CE1' HD23 ' A' 1006 ' ' LEU . 21.6 m-85 -100.34 165.65 14.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 61.229999999999997 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 70.219999999999999 111.024 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 75.25 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.74 126.2 28.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 75.340000000000003 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.219999999999999 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.0 t -82.99 -23.9 33.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 64.519999999999996 109.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.18 -23.65 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 70.040000000000006 109.294 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.78 156.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.310000000000002 109.255 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.811 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -143.94 169.47 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.4 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.733 ' O ' HD23 ' A' ' 906' ' ' LEU . 13.2 m-30 -108.41 138.64 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.129999999999995 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 905' ' ' PHE . 2.3 mt -133.36 159.15 41.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 63.439999999999998 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.43 ' HG ' ' CB ' ' A' ' 962' ' ' CYS . 40.5 t -73.64 130.74 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.952 -1.022 . . . . 73.329999999999998 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 18.7 ttpt -57.97 -62.09 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 71.519999999999996 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -43.89 -61.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.019999999999996 109.311 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.9 m -98.03 -102.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 63.030000000000001 108.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.5 p 157.85 41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.319999999999993 110.039 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.0 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 64.129999999999995 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.811 HD21 HG22 ' A' ' 904' ' ' THR . 0.4 OUTLIER -60.79 106.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.040000000000006 109.34 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . . . . . . . . . . . -89.19 -36.09 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 62.329999999999998 109.29 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.9 169.65 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 72.239999999999995 108.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 904' ' ' THR . 23.4 p -113.72 148.08 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.150000000000006 109.984 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -48.78 -45.35 31.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 62.32 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.69 -28.82 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 71.420000000000002 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -93.12 30.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 63.450000000000003 109.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.539 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.35 153.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 60.039999999999999 109.334 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -119.41 172.38 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 63.340000000000003 109.594 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.274 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 52.299999999999997 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 5.2 t-20 -103.39 95.77 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 73.219999999999999 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 35.0 mmm -84.37 45.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 63.219999999999999 110.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.508 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -109.1 124.18 34.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 74.230000000000004 110.38 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.49 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.808 . . . . 64.209999999999994 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -55.9 -32.98 64.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 110.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 938' ' ' LEU . 39.5 t80 -58.54 -21.78 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 74.329999999999998 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 13.0 ptpt -62.89 -19.46 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.53 4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.140000000000001 110.249 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.526 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.3 mt -111.33 -19.85 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 55.409999999999997 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -124.1 149.63 45.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 110.999 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -125.11 135.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 65.049999999999997 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -98.43 133.79 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.049999999999997 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.83 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -110.55 122.48 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 110.319 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.55 104.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 71.349999999999994 110.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.504 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -153.14 129.79 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 61.210000000000001 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.45 -7.91 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 65.25 109.339 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.504 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.29 -13.42 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 35.130000000000003 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.7 mm? -103.42 -77.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.28 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.496 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 35.520000000000003 110.253 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 973' ' ' VAL . 11.7 tm0? . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.305 -0.257 . . . . 74.140000000000001 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -113.34 156.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.272 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.56 -23.18 12.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 72.239999999999995 109.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.27 -138.96 6.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 70.209999999999994 111.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.7 144.25 50.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 64.030000000000001 110.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . . . . . . . . . 17.7 pt -101.82 135.4 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 35.32 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.83 HD11 ' HD3' ' A' ' 942' ' ' ARG . 23.7 pt -134.7 148.4 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.26 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -66.61 -174.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 108.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.45 ' HE2' HD11 ' A' ' 940' ' ' ILE . 3.9 mmmm -58.66 -51.7 68.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.311 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.78 -38.69 72.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 43.509999999999998 108.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.78 36.96 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 53.520000000000003 111.057 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.5 tp60 -95.23 116.07 28.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 72.340000000000003 110.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.775 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.2 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 34.409999999999997 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.742 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -70.34 -31.92 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 108.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 167.11 -123.52 1.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 71.019999999999996 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.69 163.86 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 74.230000000000004 110.43 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 28.1 tpp -111.59 105.14 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.09 . . . . 70.140000000000001 111.006 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 1.9 mtm -81.78 172.42 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 64.099999999999994 110.971 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 955' ' ' GLN . 45.0 t -137.71 158.38 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.420000000000002 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.922 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.5 t-80 -157.47 101.79 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.019999999999996 109.572 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.8 mttp 61.7 15.34 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.92 1.93 34.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 73.329999999999998 110.958 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.8 OUTLIER -79.34 166.43 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 73.030000000000001 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.782 ' N ' HD13 ' A' ' 977' ' ' LEU . 0.5 OUTLIER -116.01 112.02 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -121.7 97.06 46.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.5 109.274 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.489 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.91 113.91 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 75.430000000000007 111.073 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.64 105.11 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 72.409999999999997 108.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -82.92 155.5 24.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.259 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 46.7 mttt -124.78 121.34 34.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 70.150000000000006 109.234 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.52 -30.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.239999999999995 109.252 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -64.19 -14.3 54.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 110.314 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.1 m-20 -115.68 0.41 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 62.210000000000001 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.742 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.1 m-85 -126.64 -179.37 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 110.957 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 998' ' ' LYS . 3.2 t -138.94 162.39 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.420000000000002 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.31 136.65 58.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 73.439999999999998 109.294 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.439 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.6 t -132.09 132.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 73.319999999999993 109.346 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.619 ' CD1' HG22 ' A' ' 903' ' ' ILE . 65.2 m-85 -96.64 135.02 39.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 110.997 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 55.32 109.284 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 990' ' ' VAL . 11.9 ttmt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.3 -0.63 . . . . 74.219999999999999 109.3 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 988' ' ' VAL . 0.1 OUTLIER -105.26 150.99 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 55.340000000000003 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -127.92 110.61 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 65.439999999999998 110.282 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.465 ' C ' ' CG2' ' A' ' 984' ' ' ILE . 83.7 m-85 -101.87 -177.35 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.140000000000001 110.965 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.526 ' CA ' HG22 ' A' ' 984' ' ' ILE . 36.0 pttt -123.1 -47.45 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.450000000000003 109.301 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.546 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttm -119.89 151.44 38.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 52.009999999999998 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.693 ' HA ' HD12 ' A' ' 984' ' ' ILE . 60.7 m95 -62.72 -34.83 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 74.530000000000001 107.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.546 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -53.39 -27.28 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 70.140000000000001 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -69.68 -34.41 73.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 74.439999999999998 110.29 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -51.37 108.55 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 61.399999999999999 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.457 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 71.140000000000001 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.47 130.85 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.319999999999993 109.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 t -65.78 137.9 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 54.25 110.386 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -124.59 166.03 21.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 65.209999999999994 111.004 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.264 -0.643 . . . . 75.510000000000005 109.264 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 902' ' ' LEU . 5.9 t-20 -128.59 124.43 22.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 71.200000000000003 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.513 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 1.34 7.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 71.340000000000003 110.953 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.0 t -87.7 -24.7 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 71.349999999999994 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 899' ' ' ASN . 0.5 OUTLIER -91.32 -24.15 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.030000000000001 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.54 156.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 61.109999999999999 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.84 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.33 162.49 39.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 70.099999999999994 110.425 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' ' 920' ' ' ILE . 9.0 m-30 -104.13 140.76 37.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.040000000000006 111.003 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.5 OUTLIER -134.5 176.11 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.319999999999993 109.356 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.44 122.18 33.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.025 -0.988 . . . . 53.32 110.928 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -52.82 -60.29 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 51.240000000000002 109.308 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -45.08 -57.74 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 62.210000000000001 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -100.01 -101.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.010000000000005 108.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.7 p 154.55 41.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.400000000000006 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.06 131.24 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 72.150000000000006 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.22 107.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 63.020000000000003 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -34.76 18.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 61.450000000000003 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.967 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.12 165.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 72.349999999999994 108.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.6 ' CB ' HG23 ' A' ' 904' ' ' THR . 8.9 t -109.01 159.85 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 34.509999999999998 110.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.61 -52.86 35.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 41.229999999999997 111.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.416 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -59.33 -25.28 64.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 74.209999999999994 110.251 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 29.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.049999999999997 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.528 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.26 156.43 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 54.329999999999998 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -124.81 159.41 31.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 65.430000000000007 109.617 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.209999999999994 109.312 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 981' ' ' CYS . 4.7 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.279 -0.638 . . . . 61.399999999999999 109.279 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.13 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 64.409999999999997 109.323 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 30.7 mmm -83.92 46.75 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.530000000000001 110.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.967 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.04 126.2 31.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 110.378 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.472 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.93 -45.23 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 61.509999999999998 111.052 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.535 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.4 pt-20 -58.97 -28.98 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.140000000000001 110.346 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.693 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 78.4 t80 -68.53 -19.43 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 74.239999999999995 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -65.64 -17.34 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 73.099999999999994 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -105.0 4.65 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 73.510000000000005 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.59 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -110.23 -11.48 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 70.129999999999995 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -127.69 149.27 50.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.99 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.53 138.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 60.240000000000002 109.272 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.83 136.16 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 63.130000000000003 109.336 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.839 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.21 119.36 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 73.519999999999996 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -45.2 104.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.219999999999999 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.4 t30 -155.11 129.22 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.040000000000006 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -96.72 -7.06 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 74.109999999999999 109.308 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.29 -13.08 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.5 mm? -100.53 -55.65 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 62.350000000000001 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.541 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.209999999999994 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.4 tm0? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.282 -0.266 . . . . 72.420000000000002 110.282 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -113.32 158.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 73.310000000000002 109.293 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -104.33 -24.74 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.95 -139.7 6.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 53.32 110.983 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -125.66 133.9 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 72.400000000000006 110.306 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 941' ' ' VAL . 20.1 pt -92.75 136.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.340000000000003 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.839 HD11 ' HD3' ' A' ' 942' ' ' ARG . 15.4 pt -138.65 145.17 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 74.5 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.65 -174.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 108.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.684 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -60.6 -51.63 68.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.3 m -56.33 -35.1 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 65.129999999999995 108.261 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.88 39.26 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 72.219999999999999 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.5 tp60 -96.29 121.34 37.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 70.129999999999995 110.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.72 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.27 91.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 72.209999999999994 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.7 m0 -65.45 -39.34 91.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 108.024 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.8 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 74.349999999999994 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.42 156.53 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 73.540000000000006 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.4 tpp -102.19 100.34 10.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.430000000000007 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 2.6 mtm -82.09 166.41 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.510000000000005 110.971 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 977' ' ' LEU . 9.6 t -143.37 138.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 54.119999999999997 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.7 t-80 -127.3 101.51 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.510000000000005 109.579 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.6 mttp 59.18 21.34 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.25 109.347 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.3 12.35 29.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 111.03 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.735 ' O ' HG13 ' A' ' 973' ' ' VAL . 16.7 tp -83.59 166.19 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 72.049999999999997 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -119.26 110.03 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 75.109999999999999 109.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.62 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -139.55 98.07 8.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 72.439999999999998 109.267 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 117.42 4.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.766 . . . . 62.409999999999997 111.028 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -95.73 106.66 18.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.129999999999995 108.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -89.48 164.71 14.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 65.230000000000004 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 12.7 mttt -125.14 122.1 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 64.239999999999995 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -59.24 -19.07 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 72.140000000000001 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.78 -6.33 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 78.1 m-20 -123.48 -1.64 8.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 64.099999999999994 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.9 m-85 -121.56 -176.85 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 110.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.02 161.81 28.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.61 123.77 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 71.400000000000006 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.1 t -113.49 121.43 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 70.439999999999998 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -90.11 119.63 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 64.430000000000007 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 73.209999999999994 109.261 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.632 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.8 ttmt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.351 -0.611 . . . . 74.299999999999997 109.351 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -109.72 160.65 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 74.239999999999995 109.292 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -127.7 105.99 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 64.310000000000002 110.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.479 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 70.1 m-85 -94.14 -170.9 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 110.992 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.5 pttp -128.36 -47.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 73.530000000000001 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.728 ' HB3' HG12 ' A' 1004 ' ' VAL . 33.2 mttt -121.15 155.26 34.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 62.25 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 984' ' ' ILE . 25.2 m95 -66.75 -23.58 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 107.988 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -65.36 -28.47 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 65.010000000000005 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.88 -16.47 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 74.409999999999997 110.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.768 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -70.79 114.09 23.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 63.539999999999999 109.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.99 -0.84 10.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 51.009999999999998 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.627 HG21 ' CD1' ' A' ' 903' ' ' ILE . 1.0 OUTLIER -92.41 134.0 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.299999999999997 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -69.92 158.49 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 35.240000000000002 110.386 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.768 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.0 m-85 -134.57 161.82 61.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 63.049999999999997 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 45.130000000000003 110.988 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' 1007 ' ' PRO . 19.1 t-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 72.299999999999997 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -115.96 123.33 31.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.519 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 75.549999999999997 111.048 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 10.9 t -84.89 -26.37 27.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 71.209999999999994 109.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.39 -27.04 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 70.340000000000003 109.304 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -96.08 158.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.319999999999993 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.6 158.14 43.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 70.540000000000006 110.447 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.8 m-30 -99.53 139.36 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 54.43 111.031 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.78 176.37 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 65.340000000000003 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 49.8 t -89.21 122.81 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.971 -1.013 . . . . 75.140000000000001 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -53.35 -60.4 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 109.3 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -45.43 -57.01 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.0 m -100.64 -101.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 73.049999999999997 108.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.84 43.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 71.030000000000001 109.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.99 131.94 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.409999999999997 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -61.05 106.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.54 -34.67 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 54.409999999999997 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.42 ' SG ' ' ND2' ' A' ' 930' ' ' ASN . 1.1 p -179.24 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.230000000000004 108.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.587 ' CB ' HG23 ' A' ' 904' ' ' THR . 41.9 p -104.6 160.38 15.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.109999999999999 109.997 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . 0.417 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -55.41 -50.84 58.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 62.409999999999997 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -24.46 66.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 65.5 110.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -93.15 28.84 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.430000000000007 109.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.531 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -133.24 157.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -126.24 153.71 44.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.629 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.318 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.294 -0.632 . . . . 71.409999999999997 109.294 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 915' ' ' CYS . 6.2 t-20 -95.74 95.76 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 75.409999999999997 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 49.6 mtt -84.56 46.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 71.400000000000006 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.559 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -103.66 123.99 39.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.400000000000006 110.433 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.459 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -75.02 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.552 1.817 . . . . 73.010000000000005 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.559 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -60.23 -27.2 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.341 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.844 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 81.6 t80 -70.14 -19.58 63.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 110.969 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.6 ptpt -65.45 -16.66 63.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.22 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.04 4.35 31.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 64.239999999999995 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.589 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 14.5 mt -109.85 -15.46 14.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.200000000000003 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.623 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -122.41 150.32 42.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.219999999999999 110.995 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.79 137.19 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 75.319999999999993 109.333 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.618 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -103.76 132.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 24.129999999999999 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.11 124.54 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 73.209999999999994 110.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -46.78 104.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.476 HD21 ' N ' ' A' ' 947' ' ' LEU . 2.2 t30 -155.37 123.08 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 109.294 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -93.48 -7.97 42.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.446 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.09 -12.8 42.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -102.05 -57.2 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.040000000000006 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.533 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.409999999999997 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 973' ' ' VAL . 11.2 tm0? . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.302 -0.259 . . . . 74.430000000000007 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.533 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -108.71 158.74 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 64.420000000000002 109.328 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' A' ' 973' ' ' VAL . 0.9 OUTLIER -102.99 -25.77 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.210000000000001 109.264 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.35 -137.5 4.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 22.41 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.93 138.39 54.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 72.310000000000002 110.302 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.577 HG22 HG23 ' A' ' 941' ' ' VAL . 7.9 pt -97.67 134.22 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 71.019999999999996 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.84 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -137.68 148.21 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 109.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.05 -174.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 64.340000000000003 108.283 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -62.14 -51.77 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 55.229999999999997 109.317 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.8 m -55.08 -34.48 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 65.409999999999997 108.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.5 37.73 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 41.009999999999998 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.5 tp60 -95.98 121.29 37.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 0.798 . . . . 74.340000000000003 110.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.59 92.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 70.140000000000001 109.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 7.2 m0 -65.63 -38.72 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.010000000000005 107.999 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.469 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 170.95 -117.89 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 72.010000000000005 111.017 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.448 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -152.63 164.64 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 42.219999999999999 110.438 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.569 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 26.4 tpp -109.88 96.41 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.239999999999995 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 28.7 mtp -82.09 153.64 25.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 74.200000000000003 110.996 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.0 t -124.0 147.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.519999999999996 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.765 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -138.46 101.38 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.019999999999996 109.585 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 60.63 22.37 12.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.420000000000002 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.55 1.37 50.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.721 ' O ' HG13 ' A' ' 973' ' ' VAL . 9.2 tp -79.39 166.66 21.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 75.409999999999997 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -116.02 114.54 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 74.120000000000005 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -133.7 96.55 16.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.569 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.96 121.32 6.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 72.120000000000005 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . 0.567 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -98.43 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 51.149999999999999 108.359 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.844 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -97.17 145.71 25.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 75.439999999999998 109.26 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -109.28 126.88 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 71.549999999999997 109.271 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -58.93 -26.57 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 6.3 ptt180 -66.3 -7.89 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.9 m-20 -117.96 -5.83 11.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 74.329999999999998 109.264 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.2 m-85 -121.86 -175.93 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 72.109999999999999 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.552 HG22 ' NE2' ' A' ' 999' ' ' GLN . 9.9 t -138.33 162.18 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.109999999999999 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -119.89 124.18 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.89 116.35 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 62.399999999999999 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.03 118.2 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 54.039999999999999 110.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . 0.425 ' CB ' ' NZ ' ' A' ' 992' ' ' LYS . 8.8 mtmp? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 61.350000000000001 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.633 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.9 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.277 -0.638 . . . . 54.439999999999998 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.37 151.79 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 73.349999999999994 109.249 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . 0.552 ' NE2' HG22 ' A' ' 988' ' ' VAL . 11.5 tt0 -118.29 104.89 11.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.229999999999997 110.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.491 ' CB ' HG21 ' A' ' 984' ' ' ILE . 59.2 m-85 -92.01 -174.47 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 75.049999999999997 111.002 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.536 ' CA ' HG22 ' A' ' 984' ' ' ILE . 10.5 pttt -124.58 -48.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.504 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.75 159.53 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 64.450000000000003 109.278 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.658 ' HA ' HD12 ' A' ' 984' ' ' ILE . 48.0 m95 -71.0 -16.76 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.510000000000005 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.4 p -72.74 -32.9 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.12 -19.49 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.230000000000004 110.328 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.55 116.58 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.472 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 60.32 111.059 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.468 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -87.01 133.14 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.259 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -80.58 121.7 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.420000000000002 110.43 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.717 ' CE1' HD23 ' A' 1006 ' ' LEU . 8.9 m-85 -93.57 165.63 17.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.010000000000005 110.995 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.494 1.787 . . . . 74.140000000000001 111.014 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.352 -0.61 . . . . 55.119999999999997 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -144.71 130.03 9.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 73.430000000000007 109.249 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.483 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.02 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 70.329999999999998 110.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.02 -26.47 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 71.510000000000005 110.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.81 -27.97 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 72.430000000000007 109.324 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.503 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.5 OUTLIER -95.93 156.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.150000000000006 109.305 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.877 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.47 161.99 40.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.019999999999996 110.424 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.626 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.3 m-30 -99.23 139.37 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 111.002 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.4 mt -133.92 173.56 11.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 54.219999999999999 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.501 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.6 t -92.25 114.5 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.003 -0.999 . . . . 64.319999999999993 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -46.71 -58.96 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.230000000000004 109.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.7 m-20 -46.9 -58.38 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 911' ' ' SER . 70.8 m -99.12 -102.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 52.409999999999997 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.1 m 156.89 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 74.430000000000007 110.02 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -95.55 135.07 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.439999999999998 109.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.877 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.61 108.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 61.530000000000001 109.258 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.82 -35.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 63.210000000000001 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -176.62 162.99 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 108.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 904' ' ' THR . 42.8 p -109.7 158.84 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 53.149999999999999 110.007 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.6 -54.7 28.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.15 . . . . 70.329999999999998 110.989 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 8.1 pt-20 -52.71 -28.86 23.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 72.340000000000003 110.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 5.8 t0 -93.19 29.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.040000000000006 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.6 mm -133.09 149.98 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.439999999999998 109.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -121.15 158.55 27.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 64.430000000000007 109.62 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.294 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.329 -0.619 . . . . 64.420000000000002 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 5.6 t-20 -98.47 95.95 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 70.530000000000001 109.282 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 22.7 mmm -83.14 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 60.530000000000001 110.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.435 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -107.91 121.97 42.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 64.510000000000005 110.359 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.0 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 72.519999999999996 111.019 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.4 pt-20 -55.7 -32.97 63.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.340000000000003 110.297 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.36 -22.81 61.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.040000000000006 110.989 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.3 ptpt -64.35 -15.86 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 74.209999999999994 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -105.15 4.28 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 110.344 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.403 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 12.4 mt -111.57 -22.89 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 109.26 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.732 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -120.17 151.73 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 74.329999999999998 110.974 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.57 137.44 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 73.099999999999994 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.732 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -95.47 134.63 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 63.520000000000003 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.649 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -112.98 121.05 43.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.310000000000002 110.292 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -46.39 104.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 44.240000000000002 110.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.542 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 1.6 t30 -155.71 115.83 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 54.219999999999999 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -86.7 -7.72 58.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 54.450000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.96 -14.5 48.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 70.010000000000005 109.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.498 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.5 mm? -104.53 -58.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 63.310000000000002 109.277 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.501 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.329999999999998 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 973' ' ' VAL . 12.4 tp60 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.342 -0.244 . . . . 74.099999999999994 110.342 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.25 157.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 75.099999999999994 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.18 -25.82 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 63.219999999999999 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.0 -141.18 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 62.109999999999999 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -126.11 128.71 47.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 75.430000000000007 110.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.475 HG22 ' CE1' ' A' ' 939' ' ' TYR . 10.7 pt -84.72 134.51 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 75.430000000000007 109.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.815 HG22 ' HA ' ' A' ' 967' ' ' ALA . 26.7 pt -136.6 145.42 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 55.109999999999999 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.38 -175.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 108.299 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -61.05 -51.34 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 74.010000000000005 109.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.5 m -54.84 -36.38 64.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 64.140000000000001 108.265 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.3 37.38 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 51.43 110.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 23.2 tp60 -98.27 122.26 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 62.140000000000001 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.815 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.5 101.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.319999999999993 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.608 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -76.04 -34.66 59.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.039999999999999 108.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.65 -124.57 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 110.993 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.74 153.91 36.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 63.219999999999999 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.5 tpp -98.08 92.67 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.019999999999996 110.998 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.0 mtp -81.88 148.35 28.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 73.319999999999993 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 977' ' ' LEU . 7.9 t -120.38 150.35 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 62.450000000000003 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.752 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.68 97.71 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 64.129999999999995 109.578 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 26.4 mttm 60.8 23.44 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.230000000000004 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.43 -0.71 43.15 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 110.948 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 973' ' ' VAL . 7.6 tp -79.27 166.76 21.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 71.5 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -115.08 118.21 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.450000000000003 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -139.46 96.75 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.319999999999993 109.291 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 123.61 7.98 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 74.299999999999997 111.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.38 104.96 15.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 61.340000000000003 108.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.3 OUTLIER -78.67 165.13 23.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.409999999999997 109.276 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 73.0 mttt -130.74 116.42 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.510000000000005 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.3 mt -58.49 -19.45 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 63.43 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.3 OUTLIER -72.57 -5.46 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 63.140000000000001 110.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.4 m-20 -128.42 3.01 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 62.509999999999998 109.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.608 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 22.6 m-85 -123.85 -175.77 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.400000000000006 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.02 154.64 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.129999999999995 109.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.69 116.5 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 73.019999999999996 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.465 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.8 t -114.98 121.46 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 64.120000000000005 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -78.11 137.71 38.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.400000000000006 110.988 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.010000000000005 109.301 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 61.100000000000001 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . 0.428 ' HB3' ' CE2' ' A' 1000 ' ' TYR . 5.2 mptt -104.89 129.72 53.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -110.97 109.8 20.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.230000000000004 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.467 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.8 m-85 -102.53 -172.13 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 72.400000000000006 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 16.6 pttm -126.44 -44.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.030000000000001 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.723 ' HB3' HG12 ' A' 1004 ' ' VAL . 27.7 mttm -119.97 155.62 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 71.530000000000001 109.323 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.787 ' HA ' HD12 ' A' ' 984' ' ' ILE . 32.1 m95 -71.42 -17.19 62.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 73.340000000000003 108.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -67.47 -26.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.450000000000003 109.269 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.34 -33.82 69.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 64.450000000000003 110.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.653 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -52.11 107.5 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.010000000000005 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 64.439999999999998 110.993 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.503 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -89.62 130.04 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 109.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.1 t -67.32 146.01 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.450000000000003 110.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.653 ' CE1' HD23 ' A' 1006 ' ' LEU . 4.3 m-85 -123.9 162.6 40.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.120000000000005 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 71.340000000000003 110.987 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.5 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.28 -0.637 . . . . 74.040000000000006 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -119.48 129.51 25.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 52.439999999999998 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.485 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.07 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 71.400000000000006 111.016 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -84.07 -24.98 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 72.540000000000006 109.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.4 OUTLIER -86.51 -28.18 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 109.304 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -95.91 155.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 61.039999999999999 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.867 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -146.44 158.87 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.413 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.36 139.37 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.8 OUTLIER -133.64 177.37 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 63.420000000000002 109.308 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.652 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 51.9 t -92.65 121.28 33.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.069 -0.968 . . . . 74.030000000000001 110.942 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -51.82 -61.38 2.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 109.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -44.8 -58.51 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 911' ' ' SER . 74.1 m -98.51 -102.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.400000000000006 108.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.4 p 154.99 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.022 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.67 133.73 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 64.010000000000005 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.867 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.87 106.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.120000000000005 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.67 -35.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.040000000000006 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 54.219999999999999 108.319 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 19.0 t -103.99 163.54 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -62.5 -42.44 99.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 65.450000000000003 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 5.9 pt-20 -62.87 -28.07 69.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 75.040000000000006 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.8 t0 -94.28 30.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 63.520000000000003 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.8 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.1 mm -133.5 149.33 31.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 65.109999999999999 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -113.9 174.06 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.409999999999997 109.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 74.030000000000001 109.294 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . 0.408 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.2 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.627 . . . . 75.239999999999995 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.0 t30 -119.23 96.78 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 51.420000000000002 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.4 mmt -82.65 47.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 111.033 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.602 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.71 123.63 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 72.299999999999997 110.362 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.471 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -75.0 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 44.340000000000003 110.976 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.7 -33.73 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.319999999999993 110.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.637 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 76.6 t80 -62.47 -18.35 61.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 73.430000000000007 110.947 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.9 ptpt -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.340000000000003 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -103.55 4.2 35.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.420000000000002 110.352 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.463 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.8 mt -111.59 -18.45 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 65.319999999999993 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -121.51 149.18 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 111.011 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.0 137.38 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 109.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.639 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -102.37 125.9 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 54.310000000000002 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -97.46 139.25 33.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 110.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.32 104.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.099999999999994 110.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.497 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -157.59 129.3 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 65.549999999999997 109.292 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -96.71 -6.49 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 74.319999999999993 109.329 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -65.11 -12.86 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 34.509999999999998 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -101.82 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.230000000000004 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.524 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.439999999999998 110.363 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.303 -0.258 . . . . 72.120000000000005 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -112.21 159.2 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.510000000000005 109.258 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -103.55 -25.6 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.25 109.296 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.28 -138.17 5.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.19 131.19 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 71.140000000000001 110.291 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 939' ' ' TYR . 8.8 pt -86.31 137.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 73.450000000000003 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.742 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.2 pt -139.47 143.96 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.329999999999998 109.303 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.652 ' HG ' ' HG ' ' A' ' 907' ' ' CYS . 0.9 OUTLIER -63.96 -174.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 108.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.5 mmmm -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 75.219999999999999 109.291 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -56.14 -34.82 66.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 72.120000000000005 108.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.86 37.5 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 74.420000000000002 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.0 tp60 -96.73 120.27 36.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 74.329999999999998 110.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.742 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.72 99.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 63.350000000000001 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.1 m0 -73.65 -28.24 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 73.319999999999993 107.977 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.554 ' O ' HG23 ' A' ' 970' ' ' THR . . . 162.93 -116.07 0.69 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 75.120000000000005 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -155.74 163.14 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 72.230000000000004 110.406 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.539 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -108.94 96.19 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 72.239999999999995 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.3 mtp -82.09 154.92 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 977' ' ' LEU . 13.9 t -127.98 147.56 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.420000000000002 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -136.92 101.86 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.58 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 22.7 mttm 63.0 17.42 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.19 3.11 35.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 60.119999999999997 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.889 ' O ' HG13 ' A' ' 973' ' ' VAL . 19.0 tp -79.31 167.34 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 64.040000000000006 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.984 ' C ' HD23 ' A' ' 979' ' ' LEU . 13.1 m-20 -117.03 114.57 23.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.984 HD23 ' C ' ' A' ' 978' ' ' ASP . 0.0 OUTLIER -134.39 97.16 14.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 109.263 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.539 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.99 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.46 1.768 . . . . 54.020000000000003 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -97.76 106.77 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 61.020000000000003 108.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.637 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -86.22 173.72 9.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.200000000000003 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 24.2 mttt -132.8 122.88 25.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 65.109999999999999 109.287 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -60.19 -19.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 64.310000000000002 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.61 -11.98 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.7 m-20 -117.97 -4.46 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 75.019999999999996 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.2 m-85 -117.14 -176.72 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.329999999999998 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.0 159.44 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 74.040000000000006 109.33 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' 1006 ' ' LEU . 2.5 t -122.11 118.86 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.5 t -116.64 120.54 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 55.25 109.252 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.41 ' CD2' HG22 ' A' ' 903' ' ' ILE . 71.8 m-85 -80.8 137.32 36.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 111.023 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 902' ' ' LEU . 14.4 ttmt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 61.409999999999997 109.307 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.628 . . . . 72.540000000000006 109.303 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 141.78 41.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 65.150000000000006 109.309 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -117.2 111.08 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 61.420000000000002 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.478 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 60.9 m-85 -101.01 -170.94 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 71.549999999999997 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.567 ' CA ' HG22 ' A' ' 984' ' ' ILE . 40.5 pttt -130.99 -45.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.654 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.4 mmtp -117.66 148.9 41.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 72.430000000000007 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.742 ' HA ' HD12 ' A' ' 984' ' ' ILE . 54.8 m95 -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.654 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.1 p -56.98 -32.03 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 55.210000000000001 109.285 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.09 -23.41 67.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.1 tp -60.79 118.45 35.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 74.230000000000004 111.011 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.49 128.32 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 55.329999999999998 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -67.92 140.79 56.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 54.350000000000001 110.415 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.882 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -116.85 165.07 16.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.439999999999998 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 75.239999999999995 110.957 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.1 t-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.277 -0.638 . . . . 72.239999999999995 109.277 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -109.83 127.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 55.100000000000001 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.518 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 71.019999999999996 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 4.5 t -84.86 -24.54 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 54.229999999999997 110.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -26.36 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 74.239999999999995 109.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -97.31 157.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 71.349999999999994 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.85 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -149.38 163.63 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.439999999999998 110.416 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.8 m-30 -100.47 136.61 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 111.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 990' ' ' VAL . 1.1 mt -135.49 158.3 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 64.140000000000001 109.244 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 44.5 t -75.44 121.47 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 74.439999999999998 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -52.55 -60.09 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 109.284 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.4 m-20 -43.89 -58.91 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.6 m -98.49 -101.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 51.210000000000001 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.5 p 155.71 42.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.96 135.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.319999999999993 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.85 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.52 108.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.129999999999995 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.49 ' HB3' ' HE1' ' A' ' 987' ' ' PHE . . . -89.05 -34.89 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.78 164.38 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 24.510000000000002 108.281 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.572 ' CB ' HG23 ' A' ' 904' ' ' THR . 69.6 p -111.21 157.2 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 64.319999999999993 110.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.96 45.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 55.229999999999997 110.962 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 1.7 pp20? -56.88 -27.0 60.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 71.340000000000003 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.21 30.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 70.230000000000004 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.8 mm -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 71.010000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -122.21 171.21 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 73.329999999999998 109.612 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.409999999999997 109.297 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.339 -0.615 . . . . 64.109999999999999 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 6.0 t-20 -101.46 95.34 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 71.400000000000006 109.315 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 26.2 mtt -85.66 47.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 64.019999999999996 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.608 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -105.34 123.87 38.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 64.310000000000002 110.372 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 73.5 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.608 ' HG2' HG22 ' A' ' 932' ' ' THR . 15.3 pt-20 -56.12 -34.02 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 110.267 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -59.34 -21.37 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 75.519999999999996 111.037 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.555 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.8 ptpt -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 75.219999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -104.96 2.3 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 110.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 914' ' ' ALA . 18.0 mt -109.07 -25.38 10.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.3 OUTLIER -118.98 152.75 35.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.400000000000006 110.952 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 963' ' ' LYS . 1.4 mt -125.71 135.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -98.35 135.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 65.010000000000005 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.87 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -112.64 117.34 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 75.030000000000001 110.351 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -43.98 104.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 73.239999999999995 110.263 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 947' ' ' LEU . 2.4 t30 -153.01 123.16 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 72.040000000000006 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -7.82 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.219999999999999 109.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.468 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.68 -13.21 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 61.420000000000002 109.336 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.474 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.5 mm? -102.2 -57.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.430000000000007 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 973' ' ' VAL . 8.3 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.263 -0.273 . . . . 51.539999999999999 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -111.79 158.39 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 75.420000000000002 109.27 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -103.79 -25.51 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 61.409999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.33 -139.96 6.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 71.420000000000002 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.87 141.19 51.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 71.450000000000003 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.435 HG22 HG23 ' A' ' 941' ' ' VAL . 9.3 pt -99.14 135.28 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 109.324 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.87 HD11 ' HD3' ' A' ' 942' ' ' ARG . 24.7 pt -137.64 146.71 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 74.150000000000006 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.81 -177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.150000000000006 108.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.604 ' HD2' HD11 ' A' ' 940' ' ' ILE . 5.7 mmtt -62.55 -48.98 77.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.299999999999997 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.3 m -56.51 -31.1 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 74.25 108.303 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 108.94 41.95 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 41.350000000000001 111.047 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 16.7 tp60 -106.15 122.54 46.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 62.219999999999999 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.832 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.78 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 51.210000000000001 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.3 m0 -82.22 -27.26 32.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 108.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.43 -117.43 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 62.140000000000001 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -156.49 172.73 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 74.230000000000004 110.427 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.4 tpp -116.51 93.83 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 73.129999999999995 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.2 mtp -81.82 153.46 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 63.109999999999999 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -124.86 150.5 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.409999999999997 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.0 t-80 -143.13 102.28 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.64 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 28.5 mttt 65.65 21.38 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 73.349999999999994 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.88 -0.75 57.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 63.340000000000003 110.973 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.64 161.34 25.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 75.340000000000003 109.292 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.859 ' H ' HD13 ' A' ' 977' ' ' LEU . 73.3 m-20 -105.82 114.8 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 52.009999999999998 109.322 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.31 97.74 10.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 72.530000000000001 109.307 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.488 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.04 146.36 32.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.538 1.809 . . . . 65.349999999999994 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.96 101.84 7.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 72.129999999999995 108.274 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.496 ' N ' HD13 ' A' ' 982' ' ' LEU . 0.2 OUTLIER -74.12 168.0 20.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 71.019999999999996 109.278 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 21.3 mttm -131.72 118.25 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 109.312 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -61.43 -19.69 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 53.310000000000002 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 3.4 ptm180 -71.97 -13.48 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 71.340000000000003 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 64.9 m-20 -119.95 -1.19 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 71.409999999999997 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 914' ' ' ALA . 6.6 m-85 -116.52 -176.23 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 70.530000000000001 111.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.5 155.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 73.519999999999996 109.302 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.78 121.1 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 54.130000000000003 109.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.62 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.2 t -116.49 117.15 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.349999999999994 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.17 135.38 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 62.530000000000001 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 65.310000000000002 109.273 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.459 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.2 ttpp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.267 -0.642 . . . . 74.329999999999998 109.267 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -104.99 129.26 53.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 51.210000000000001 109.321 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -109.45 108.46 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 63.210000000000001 110.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.475 ' CB ' HG21 ' A' ' 984' ' ' ILE . 89.8 m-85 -99.14 -171.21 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 64.420000000000002 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.562 ' CA ' HG22 ' A' ' 984' ' ' ILE . 13.8 pttp -128.52 -45.24 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.746 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.1 mmtp -117.63 150.65 38.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 53.119999999999997 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 52.7 m95 -67.31 -21.32 65.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.993 -1.114 . . . . 72.430000000000007 107.993 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.746 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -69.45 -25.69 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 60.149999999999999 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.41 -20.14 62.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 110.356 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1006 ' ' LEU . 6.2 tp -69.77 113.8 20.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.409999999999997 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.48 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.1 Cg_endo -75.01 1.18 8.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 61.420000000000002 111.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.1 mp -86.91 133.11 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.150000000000006 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.7 m -78.85 132.21 36.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.319999999999993 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -108.7 165.78 12.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 54.520000000000003 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 62.130000000000003 111.024 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' 1007 ' ' PRO . 4.7 m120 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.297 -0.631 . . . . 75.129999999999995 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 126.85 12.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 53.229999999999997 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.95 0.91 8.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 62.25 111.039 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.7 t -85.6 -26.07 26.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 75.310000000000002 109.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 992' ' ' LYS . 0.5 OUTLIER -86.77 -25.46 24.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 63.32 109.301 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -99.69 153.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.319999999999993 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.855 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.6 158.93 43.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 61.520000000000003 110.414 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.49 137.89 38.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -132.87 176.84 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.340000000000003 109.329 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.1 t -91.47 117.79 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.021 -0.991 . . . . 62.109999999999999 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -49.34 -59.07 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 109.303 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -45.71 -61.2 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 109.301 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 911' ' ' SER . 82.0 m -95.93 -100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.409999999999997 108.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.2 t 154.26 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 54.409999999999997 110.0 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.17 133.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.239999999999995 109.272 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 107.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 74.230000000000004 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.589 ' HA ' HD13 ' A' ' 938' ' ' LEU . . . -86.88 -35.67 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.409999999999997 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -178.16 163.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 65.329999999999998 108.359 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.679 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.96 156.06 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 44.149999999999999 109.992 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.52 -47.7 36.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 25.41 110.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 6.8 pt-20 -60.95 -26.84 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 75.010000000000005 110.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.5 t0 -93.27 28.77 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 73.519999999999996 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.544 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.23 157.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 62.310000000000002 109.264 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -120.54 168.85 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.030000000000001 109.617 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.230000000000004 109.29 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.363 -0.606 . . . . 52.340000000000003 109.363 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -95.77 95.79 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 109.275 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.9 mmt -85.93 47.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 110.976 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.7 OUTLIER -104.72 125.28 34.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 63.530000000000001 110.413 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.2 Cg_endo -74.94 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 75.5 110.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -34.53 71.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 75.140000000000001 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 69.5 t80 -61.25 -18.73 59.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 54.009999999999998 110.997 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.2 ptpt -67.78 -16.38 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 52.240000000000002 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.68 0.55 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 74.319999999999993 110.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 914' ' ' ALA . 8.0 mt -107.39 -25.79 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 72.329999999999998 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -114.48 149.42 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 72.230000000000004 110.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.7 137.3 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.219999999999999 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -99.04 134.65 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.926 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -114.9 131.66 56.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.129999999999995 110.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.69 104.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 65.329999999999998 110.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.485 HD21 ' N ' ' A' ' 947' ' ' LEU . 3.2 t30 -152.92 128.46 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 72.219999999999999 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -96.65 -7.32 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.040000000000006 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.481 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.13 -12.88 43.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 53.009999999999998 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.485 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -101.27 -75.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.420000000000002 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.537 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 62.43 110.279 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.615 ' O ' HG23 ' A' ' 973' ' ' VAL . 19.9 tp60 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.299 -0.259 . . . . 75.299999999999997 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -103.36 153.96 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 75.010000000000005 109.29 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -113.83 -15.64 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 74.540000000000006 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . 0.428 ' H ' HG22 ' A' ' 956' ' ' ILE . . . 159.97 -140.84 7.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 71.409999999999997 110.986 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.29 146.84 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 51.409999999999997 110.298 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.513 HG22 HG23 ' A' ' 941' ' ' VAL . 10.9 pt -102.49 134.13 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.926 HD11 ' HD3' ' A' ' 942' ' ' ARG . 27.3 pt -138.22 145.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.510000000000005 109.29 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.3 -174.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 108.262 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -61.16 -51.38 69.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 65.530000000000001 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.0 m -56.02 -35.1 66.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 24.530000000000001 108.257 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.64 39.4 1.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 41.219999999999999 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 28.3 tp60 -97.83 119.89 37.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 54.039999999999999 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.811 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.65 95.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.329999999999998 109.267 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.655 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.1 m0 -71.31 -30.68 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 107.972 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.82 -122.27 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 111.018 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.09 153.66 36.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 65.329999999999998 110.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 20.5 tpp -97.27 90.98 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 73.230000000000004 111.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 12.8 mtp -82.65 156.0 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 110.975 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.3 t -124.68 148.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 74.439999999999998 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.724 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.5 t-80 -137.83 104.23 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.0 109.584 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 9.0 mmtm 61.91 21.28 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.400000000000006 109.259 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 101.22 -2.54 54.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 73.030000000000001 110.974 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.32 166.9 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 64.109999999999999 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.731 ' N ' HD23 ' A' ' 977' ' ' LEU . 13.5 p-10 -109.97 115.41 29.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.530000000000001 109.258 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -132.3 96.56 19.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.02 117.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 75.319999999999993 110.981 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.79 103.81 15.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 108.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.8 OUTLIER -84.2 169.12 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 64.349999999999994 109.314 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.429 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 22.1 mttt -131.54 121.83 25.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.57 -21.11 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.049999999999997 109.284 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -71.0 -6.48 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 54.219999999999999 110.292 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.9 m-20 -124.13 -1.5 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 71.329999999999998 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.655 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 27.5 m-85 -121.22 -176.2 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.519999999999996 110.985 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.37 159.09 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.88 114.58 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 109.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -114.06 123.62 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 903' ' ' ILE . 62.5 m-85 -80.5 139.06 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 62.119999999999997 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 902' ' ' LEU . 24.9 ttpp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.643 ' HB2' HG22 ' A' ' 990' ' ' VAL . 17.7 ttmt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.321 -0.622 . . . . 63.439999999999998 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.57 130.29 54.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.519999999999996 109.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.13 110.83 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 110.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.482 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.1 m-85 -102.88 -172.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.533 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.4 pttt -125.69 -48.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 60.119999999999997 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.743 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.1 mttm -118.97 157.59 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.009999999999998 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.723 ' HA ' HD12 ' A' ' 984' ' ' ILE . 20.2 m95 -69.72 -24.97 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 72.409999999999997 107.995 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.743 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -60.57 -21.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 63.109999999999999 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.73 -26.16 44.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.349999999999994 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.29 110.95 3.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 70.430000000000007 109.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.93 -0.89 10.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 71.219999999999999 111.027 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -93.48 130.73 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 70.25 109.266 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.5 t -66.64 158.61 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 110.41 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.884 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.5 m-85 -129.71 165.74 30.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 63.299999999999997 111.047 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.310000000000002 111.005 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.8 m120 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.257 -0.645 . . . . 74.420000000000002 109.257 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -145.23 126.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 63.43 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 1.91 7.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 72.010000000000005 111.048 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 29.2 t -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 54.530000000000001 110.009 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.54 -25.35 20.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 55.450000000000003 109.274 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -97.5 157.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 72.5 109.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.827 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.5 158.83 44.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 110.379 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.5 m-30 -100.35 139.23 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 111.047 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.25 177.39 7.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 52.549999999999997 109.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . . . . . . . . . 47.6 t -89.84 123.73 34.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.978 -1.01 . . . . 53.409999999999997 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.57 -59.5 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 61.030000000000001 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -46.53 -59.81 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.140000000000001 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.6 m -97.02 -101.14 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 72.420000000000002 108.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.5 OUTLIER 154.46 41.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 33.130000000000003 110.019 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.06 133.72 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 72.519999999999996 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.35 106.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 63.340000000000003 109.287 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.33 -35.71 19.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 75.230000000000004 109.359 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -176.74 165.51 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 72.239999999999995 108.302 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 904' ' ' THR . 60.4 p -108.63 157.11 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 109.942 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.87 -52.29 43.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 51.020000000000003 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.1 pp20? -55.17 -28.95 56.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 72.310000000000002 110.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.39 28.06 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.230000000000004 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.787 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.0 mm -133.45 150.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.239999999999995 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -114.94 178.66 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 109.608 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 63.229999999999997 109.31 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.317 -0.623 . . . . 71.519999999999996 109.317 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.787 ' OD1' HD13 ' A' ' 920' ' ' ILE . 65.2 t30 -99.45 96.01 7.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 61.43 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.1 mtt -83.07 47.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -105.94 127.2 28.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.319999999999993 110.442 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.36 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 75.430000000000007 111.027 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.1 pt-20 -56.1 -34.55 66.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.219999999999999 110.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.896 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 64.9 t80 -59.29 -21.52 59.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.239999999999995 110.986 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -64.62 -16.16 62.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.3 5.87 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 110.281 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 935' ' ' PHE . 8.0 mt -113.2 -14.57 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -127.65 149.48 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.299999999999997 111.009 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.4 mt -124.09 138.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.519999999999996 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 960' ' ' ILE . 2.1 t -104.99 129.25 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 71.420000000000002 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -103.25 143.56 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.46 104.61 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 75.219999999999999 110.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.501 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.5 t30 -154.44 130.13 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.329999999999998 109.243 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -96.63 -8.17 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.24 -13.33 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 44.009999999999998 109.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -102.79 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 33.350000000000001 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.527 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 75.239999999999995 110.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 973' ' ' VAL . 7.6 tp60 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.318 -0.253 . . . . 61.310000000000002 110.318 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 971' ' ' MET . 1.1 mm -118.15 157.08 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.230000000000004 109.268 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -99.45 -27.08 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 72.25 109.312 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.09 -137.52 5.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 34.020000000000003 111.009 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -125.02 135.21 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 73.209999999999994 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.672 HG22 HG23 ' A' ' 941' ' ' VAL . 20.3 pt -93.52 138.18 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 51.420000000000002 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 967' ' ' ALA . 15.6 pt -138.81 149.4 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.73 -174.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 108.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -62.55 -51.42 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 70.140000000000001 109.294 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 11.8 m -56.02 -32.7 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 52.32 108.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 109.89 39.68 1.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 71.040000000000006 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 24.0 tp60 -97.35 124.71 41.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 71.109999999999999 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.745 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.28 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.530000000000001 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.706 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.3 m0 -67.79 -42.67 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.430000000000007 108.03 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 970' ' ' THR . . . 175.62 -118.85 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 72.109999999999999 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -153.81 164.1 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 60.450000000000003 110.404 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.587 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.6 tpp -109.54 97.09 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 15.0 mtp -81.73 153.18 26.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 111.023 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 977' ' ' LEU . 12.8 t -121.39 151.42 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 65.109999999999999 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.796 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.8 92.56 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.6 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm 61.08 23.77 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.27 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.16 -1.09 33.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.464 1.103 . . . . 63.149999999999999 111.0 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 978' ' ' ASP . 1.0 OUTLIER -79.07 167.39 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.805 . . . . 73.120000000000005 109.311 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.721 ' H ' HD23 ' A' ' 977' ' ' LEU . 2.4 m-20 -117.87 119.58 35.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 73.239999999999995 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -138.43 96.26 9.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 72.299999999999997 109.315 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.587 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 71.200000000000003 110.963 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . 0.508 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -97.13 111.67 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 70.209999999999994 108.309 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.896 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -98.5 145.32 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.519999999999996 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.493 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.1 OUTLIER -106.26 126.02 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.230000000000004 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.3 mt -59.15 -26.85 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.420000000000002 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.493 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -66.88 -7.61 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 74.319999999999993 110.285 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.7 m-20 -117.95 -5.77 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 60.399999999999999 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.706 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 26.6 m-85 -121.29 -176.09 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 70.310000000000002 110.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 13.3 t -137.34 162.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.32 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.8 t -120.73 123.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 43.539999999999999 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -115.0 122.57 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.298 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 903' ' ' ILE . 51.2 m-85 -90.04 117.33 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 72.549999999999997 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 73.219999999999999 109.285 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.0 ttmt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 72.420000000000002 109.291 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.07 169.81 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.530000000000001 109.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -136.08 106.96 6.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 72.329999999999998 110.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.48 ' CB ' HG21 ' A' ' 984' ' ' ILE . 74.2 m-85 -95.63 -173.09 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 61.5 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 37.5 pttt -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 70.349999999999994 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.695 ' HB3' HG12 ' A' 1004 ' ' VAL . 14.6 mttm -119.97 158.37 26.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 109.332 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.597 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.0 m95 -69.17 -19.84 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 108.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.695 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -69.92 -24.85 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 73.310000000000002 109.292 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.03 -18.44 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 74.530000000000001 110.301 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.8 tp -69.71 115.29 31.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 62.109999999999999 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -1.36 11.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 42.340000000000003 110.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -90.84 133.57 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 61.5 109.279 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.2 t -70.63 152.93 43.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.38 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.2 m-85 -133.18 164.12 46.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.549999999999997 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 64.310000000000002 110.982 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' 1007 ' ' PRO . 11.9 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 71.329999999999998 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.82 129.19 24.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 65.219999999999999 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -75.03 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 51.210000000000001 110.981 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.2 t -84.64 -23.6 29.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 71.430000000000007 110.038 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -28.86 21.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 72.530000000000001 109.326 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.585 HD13 HG12 ' A' 1008 ' ' ILE . 0.5 OUTLIER -96.47 152.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 71.129999999999995 109.272 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.06 160.02 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 73.109999999999999 110.404 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.2 m-30 -100.79 141.12 34.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.310000000000002 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 905' ' ' PHE . 0.8 OUTLIER -135.65 176.32 8.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.495 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 53.3 t -91.37 120.56 32.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.99 -1.004 . . . . 60.229999999999997 110.92 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -51.31 -60.37 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 73.310000000000002 109.285 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -45.65 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 31.399999999999999 109.29 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.1 m -97.92 -100.46 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.209999999999994 108.259 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.3 t 153.15 42.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 70.140000000000001 110.034 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.97 130.8 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 42.420000000000002 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.69 107.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.418 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.84 -34.61 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 60.039999999999999 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.78 160.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 55.409999999999997 108.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -105.52 157.5 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 63.329999999999998 110.036 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.0 -45.52 56.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 72.239999999999995 111.007 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 0.3 OUTLIER -63.05 -28.77 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 0.763 . . . . 61.109999999999999 110.324 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.14 31.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 62.200000000000003 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.55 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.2 mm -133.57 144.42 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 75.310000000000002 109.363 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -111.7 148.92 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 75.430000000000007 109.624 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 71.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 73.099999999999994 109.303 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.261 -0.644 . . . . 71.340000000000003 109.261 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.55 ' OD1' HD13 ' A' ' 920' ' ' ILE . 59.0 t30 -99.55 95.42 6.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 9.1 mtt -83.98 47.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 73.400000000000006 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 1.2 m -109.85 126.77 28.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 50.0 110.43 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 74.450000000000003 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.83 -24.89 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.209999999999994 110.244 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.706 ' CE1' HD21 ' A' ' 982' ' ' LEU . 67.2 t80 -75.82 -21.46 57.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.540000000000006 111.011 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.605 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 9.2 ptpt -64.67 -14.41 58.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 65.329999999999998 109.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.81 5.73 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.010000000000005 110.314 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.598 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 5.4 mt -113.91 -13.46 12.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 65.099999999999994 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.639 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -124.01 149.3 46.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.040000000000006 110.969 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.93 139.51 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 74.540000000000006 109.272 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -108.67 138.68 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.519999999999996 109.276 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.471 ' NE ' ' CD1' ' A' ' 961' ' ' ILE . 0.0 OUTLIER -113.28 147.68 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.200000000000003 110.324 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.32 104.9 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 71.25 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.509 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.9 t30 -155.87 131.72 9.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 72.209999999999994 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -96.67 -9.21 29.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -61.7 -14.39 31.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 22.129999999999999 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.4 mm? -103.67 -76.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.552 ' NE2' HE22 ' A' ' 955' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 75.010000000000005 110.269 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tp60 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.255 -0.276 . . . . 75.519999999999996 110.255 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.55 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -106.0 158.22 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.319999999999993 109.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -103.98 -24.58 13.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 63.240000000000002 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.23 6.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 54.32 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -120.37 136.08 54.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 74.329999999999998 110.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.704 HG22 HG23 ' A' ' 941' ' ' VAL . 5.9 pt -96.54 134.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 72.019999999999996 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.799 HG22 ' HA ' ' A' ' 967' ' ' ALA . 33.7 pt -136.76 150.95 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.219999999999999 109.247 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.62 -174.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 72.040000000000006 108.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 4.2 mmmm -60.66 -52.03 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.77 -38.13 66.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 65.209999999999994 108.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 116.76 30.9 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 45.5 110.982 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 18.4 tp60 -87.02 127.91 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 65.040000000000006 110.282 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.799 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -58.02 94.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 73.040000000000006 109.365 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 5.3 m0 -69.81 -44.31 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.120000000000005 108.031 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 970' ' ' THR . . . 173.41 -116.45 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 64.120000000000005 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.472 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.9 OUTLIER -152.99 166.0 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 63.530000000000001 110.346 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.528 ' O ' HG23 ' A' ' 956' ' ' ILE . 21.1 tpp -112.84 102.35 10.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 64.409999999999997 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 26.3 mtp -84.84 159.54 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.030000000000001 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 955' ' ' GLN . 25.4 t -122.77 147.67 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 71.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.938 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -133.75 90.5 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 44.539999999999999 109.554 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 975' ' ' LYS . 3.3 mtmp? 60.92 23.9 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.030000000000001 109.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 973' ' ' VAL . . . 109.37 -3.78 31.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 62.310000000000002 110.978 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.732 HD23 ' N ' ' A' ' 978' ' ' ASP . 2.5 tt -79.01 167.34 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 72.540000000000006 109.306 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.732 ' N ' HD23 ' A' ' 977' ' ' LEU . 6.4 p-10 -115.12 118.9 34.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 73.030000000000001 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.938 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -131.28 96.21 22.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.429 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 113.75 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.540000000000006 111.045 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -96.25 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.200000000000003 108.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.706 HD21 ' CE1' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -97.78 157.7 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 71.439999999999998 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 8.2 mttt -118.5 122.33 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.39 -17.74 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 70.439999999999998 109.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.5 -12.28 61.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.230000000000004 110.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 70.3 m-20 -119.36 -4.26 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 62.210000000000001 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 23.0 m-85 -116.36 -176.05 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 111.04 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.1 t -139.16 158.28 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 62.229999999999997 109.292 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.41 119.18 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 72.310000000000002 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.561 ' CG2' ' HZ3' ' A' ' 997' ' ' LYS . 3.0 t -116.5 124.34 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.240000000000002 109.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.469 ' CD1' HG22 ' A' ' 903' ' ' ILE . 49.5 m-85 -82.28 137.56 34.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.977 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 72.099999999999994 109.311 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.561 ' HZ3' ' CG2' ' A' ' 990' ' ' VAL . 8.4 ttmm . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 70.120000000000005 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.82 146.12 30.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 61.219999999999999 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -124.17 110.52 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.230000000000004 110.333 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.477 ' HB2' HG21 ' A' ' 984' ' ' ILE . 93.2 m-85 -102.26 -169.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.439999999999998 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.54 ' CA ' HG22 ' A' ' 984' ' ' ILE . 15.3 pttp -125.84 -47.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.329999999999998 109.283 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.74 ' HB3' HG12 ' A' 1004 ' ' VAL . 32.3 mttt -121.17 157.88 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.450000000000003 109.267 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.605 ' HA ' HD12 ' A' ' 984' ' ' ILE . 27.6 m95 -69.83 -24.71 63.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 73.299999999999997 108.003 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.74 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.7 p -61.43 -24.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 65.310000000000002 109.235 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -74.14 -26.48 60.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.209999999999994 110.333 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.739 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.1 tp -60.27 110.86 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 73.319999999999993 109.293 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.04 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 74.409999999999997 111.009 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.585 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.43 139.78 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 73.129999999999995 109.26 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -75.26 158.58 32.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 110.407 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.739 ' CE1' HD23 ' A' 1006 ' ' LEU . 14.0 m-85 -137.96 166.29 27.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 55.43 111.0 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.308 -0.627 . . . . 73.420000000000002 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -125.14 124.11 25.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 73.150000000000006 109.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.546 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 0.99 8.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 63.520000000000003 110.995 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 27.4 t -86.36 -25.55 25.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 44.530000000000001 110.025 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -23.88 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.248 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.674 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.65 156.49 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.25 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.844 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.7 157.88 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.140000000000001 110.363 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.3 m-30 -100.24 140.25 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 72.530000000000001 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.92 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 75.030000000000001 109.3 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.414 ' HG ' ' CB ' ' A' ' 962' ' ' CYS . 49.9 t -88.84 126.34 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.998 -1.001 . . . . 52.219999999999999 110.893 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -55.68 -61.1 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 73.010000000000005 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -45.49 -57.34 4.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 911' ' ' SER . 77.9 m -99.96 -102.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.319999999999993 108.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.6 m 155.65 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 109.969 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.25 131.28 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.844 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -59.25 107.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 42.219999999999999 109.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -35.17 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 65.230000000000004 109.327 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.849 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.44 160.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 60.0 108.279 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 904' ' ' THR . 46.7 p -104.26 158.12 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 42.210000000000001 109.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -50.32 -51.92 29.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 54.409999999999997 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.41 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.8 pt-20 -60.42 -25.39 65.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 74.409999999999997 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.83 28.18 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 63.310000000000002 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.814 HD13 ' OD1' ' A' ' 930' ' ' ASN . 1.8 mm -133.18 148.87 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 75.019999999999996 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -118.77 156.95 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 63.130000000000003 109.611 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 64.299999999999997 109.268 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 71.209999999999994 109.293 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 920' ' ' ILE . 67.2 t30 -101.22 96.08 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 74.120000000000005 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 10.3 mtt -83.49 47.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 71.25 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.849 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.96 124.95 35.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 70.150000000000006 110.418 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . 0.462 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -74.99 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.445 1.76 . . . . 75.209999999999994 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.2 pt-20 -59.94 -27.18 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.420000000000002 110.26 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.918 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.5 t80 -70.19 -19.29 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 64.430000000000007 110.963 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 5.2 ptpt -65.68 -17.23 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 63.229999999999997 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.9 4.33 31.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 63.32 110.315 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.553 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 18.6 mt -109.0 -12.52 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.319999999999993 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.68 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.5 148.98 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.25 111.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.505 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.7 mt -125.47 135.94 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 65.299999999999997 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.68 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -98.35 127.5 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 109.272 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -105.66 121.55 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 110.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -42.85 104.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 60.509999999999998 110.341 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.46 HD21 ' HB3' ' A' ' 946' ' ' ALA . 1.7 t30 -154.74 115.88 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.310000000000002 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -90.25 -7.48 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 63.140000000000001 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' A' ' 944' ' ' ASN . . . -66.43 -10.07 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 74.109999999999999 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.2 mm? -105.3 -59.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 70.239999999999995 109.286 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.52 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 51.109999999999999 110.272 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 973' ' ' VAL . 19.7 tp60 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.319 -0.252 . . . . 73.439999999999998 110.319 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.52 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -107.08 158.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 71.319999999999993 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -104.18 -24.71 13.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 65.219999999999999 109.312 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 163.15 -142.33 7.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 967' ' ' ALA . 7.3 tt0 -122.39 134.9 54.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 0.798 . . . . 64.140000000000001 110.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 939' ' ' TYR . 7.0 pt -95.34 130.09 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 55.530000000000001 109.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.7 pt -132.59 148.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 62.420000000000002 109.263 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -65.84 -174.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 60.310000000000002 108.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 940' ' ' ILE . 4.2 mmmm -59.48 -51.98 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 64.040000000000006 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.74 -38.02 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.310000000000002 108.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.03 32.55 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 968' ' ' TRP . 27.8 tp60 -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 65.120000000000005 110.235 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.793 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.34 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 61.310000000000002 109.254 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.702 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -66.33 -42.97 87.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 108.025 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 970' ' ' THR . . . 176.65 -117.33 0.59 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 62.200000000000003 110.983 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -154.84 161.73 41.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 71.040000000000006 110.399 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.1 tpp -105.45 94.78 5.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 44.43 111.014 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 10.1 mtp -81.89 155.24 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.8 t -127.64 148.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 74.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.57 102.09 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 109.628 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.22 22.59 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.519999999999996 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.84 1.7 49.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 53.200000000000003 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.868 ' O ' HG13 ' A' ' 973' ' ' VAL . 11.1 tp -79.38 166.64 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 72.140000000000001 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -114.95 115.48 26.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 63.340000000000003 109.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.25 96.58 11.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 109.269 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.418 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -75.01 120.21 5.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 70.409999999999997 111.034 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -97.8 112.75 24.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.299999999999997 108.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.918 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -99.93 145.54 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 53.399999999999999 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -107.75 126.63 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 73.040000000000006 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -58.71 -28.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 62.439999999999998 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.498 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.5 ptt-85 -64.6 -8.67 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -117.77 -3.35 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.140000000000001 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.702 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.5 m-85 -123.82 -176.27 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 111.049 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . 0.402 HG22 HE21 ' A' ' 999' ' ' GLN . 11.3 t -138.79 162.33 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 71.040000000000006 109.315 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' 1006 ' ' LEU . 3.1 t -119.3 129.3 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 73.209999999999994 109.319 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 997' ' ' LYS . 0.9 OUTLIER -121.1 119.29 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 63.329999999999998 109.37 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 903' ' ' ILE . 72.6 m-85 -89.42 124.83 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 72.140000000000001 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 73.099999999999994 109.321 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.677 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.2 ttmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.278 -0.638 . . . . 75.510000000000005 109.278 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -107.68 163.99 12.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 64.209999999999994 109.317 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . 0.402 HE21 HG22 ' A' ' 988' ' ' VAL . 11.1 tt0 -128.82 108.92 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 70.200000000000003 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.471 ' CB ' HG21 ' A' ' 984' ' ' ILE . 87.9 m-85 -99.68 -173.21 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.319999999999993 111.013 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 39.1 pttt -125.12 -49.89 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 72.319999999999993 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.657 ' HB3' HG12 ' A' 1004 ' ' VAL . 53.9 mttt -118.54 158.91 24.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 73.329999999999998 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.664 ' HA ' HD12 ' A' ' 984' ' ' ILE . 33.8 m95 -70.06 -21.37 63.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.027 -1.101 . . . . 75.409999999999997 108.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.657 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.2 p -67.46 -26.12 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 60.049999999999997 109.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.109999999999999 110.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -71.48 113.96 24.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 75.25 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 51.109999999999999 110.986 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -91.13 131.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 63.439999999999998 109.279 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -65.54 157.92 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.439999999999998 110.395 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' 1006 ' ' LEU . 19.3 m-85 -134.66 161.39 63.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 74.540000000000006 111.015 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 26.0 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.309 -0.626 . . . . 73.439999999999998 109.309 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.73 126.31 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 74.549999999999997 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.553 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.5 Cg_endo -74.9 -0.3 9.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 54.420000000000002 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -83.04 -27.18 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 109.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.93 -23.68 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.409999999999997 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.02 155.54 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 61.340000000000003 109.297 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.11 160.01 42.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 64.049999999999997 110.381 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.4 m-30 -100.08 139.6 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.150000000000006 111.017 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.0 OUTLIER -134.0 176.47 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 109.341 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.491 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 52.9 t -91.71 122.1 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 74.519999999999996 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -53.14 -58.47 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.420000000000002 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -47.37 -58.42 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 72.030000000000001 109.324 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -98.45 -100.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 45.229999999999997 108.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.7 OUTLIER 153.55 42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 55.219999999999999 110.004 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.54 135.24 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 52.329999999999998 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 106.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 63.420000000000002 109.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.41 -34.8 18.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 35.200000000000003 109.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . 0.998 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.87 161.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 53.229999999999997 108.266 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.652 ' CB ' HG23 ' A' ' 904' ' ' THR . 6.0 t -106.24 161.64 14.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.519999999999996 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -55.15 -50.12 60.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 53.299999999999997 110.974 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -58.31 -23.49 56.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 62.310000000000002 110.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.2 27.87 3.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -132.94 156.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.5 -179.31 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 53.299999999999997 109.635 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . 0.506 HG21 ' HB3' ' A' 1010 ' ' PHE . 40.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 63.130000000000003 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.276 -0.639 . . . . 74.200000000000003 109.276 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -94.29 95.73 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 51.030000000000001 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.7 mmt -83.49 47.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 61.030000000000001 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.998 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 122.3 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 51.229999999999997 110.389 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.73 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 63.229999999999997 111.015 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.88 -33.84 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.030000000000001 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 938' ' ' LEU . 73.8 t80 -60.05 -20.42 57.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 71.310000000000002 111.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 8.3 ptpt -66.04 -14.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 54.530000000000001 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -105.01 4.57 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 74.340000000000003 110.258 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.3 mt -109.68 -20.32 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 63.240000000000002 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.749 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -118.27 151.01 38.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 70.439999999999998 111.006 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.62 136.21 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 73.099999999999994 109.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.749 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -94.08 131.86 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 71.120000000000005 109.327 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.721 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -110.04 119.69 40.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 64.209999999999994 110.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.87 104.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 110.274 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.512 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 1.5 t30 -156.28 115.4 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -86.61 -8.75 57.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 75.200000000000003 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.512 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.25 -14.44 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 63.509999999999998 109.299 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.5 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -104.67 -60.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 62.130000000000003 109.255 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.499 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 72.439999999999998 110.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 973' ' ' VAL . 36.6 tp60 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.267 -0.271 . . . . 75.439999999999998 110.267 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.18 157.6 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 72.150000000000006 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . 0.426 ' ND2' HG21 ' A' ' 973' ' ' VAL . 19.6 m-80 -101.55 -25.88 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 109.335 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.54 -138.26 5.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.97 130.64 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 72.420000000000002 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.494 HG22 ' CE1' ' A' ' 939' ' ' TYR . 13.1 pt -88.02 129.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.826 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -132.45 144.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.430000000000007 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.39 -175.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 60.32 108.284 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -61.76 -51.14 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 63.119999999999997 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.45 -35.2 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 64.140000000000001 108.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 113.47 37.17 1.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 51.329999999999998 110.967 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.0 tp60 -96.56 121.43 38.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 64.340000000000003 110.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.8 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 63.219999999999999 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.0 m0 -69.38 -36.8 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 74.010000000000005 107.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 171.4 -126.6 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 111.0 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.82 150.48 34.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 72.150000000000006 110.37 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 956' ' ' ILE . 22.4 tpp -97.04 95.94 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 63.119999999999997 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 17.5 mtp -81.92 153.39 26.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 72.530000000000001 111.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -132.06 138.98 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.439999999999998 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -126.39 100.32 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 71.150000000000006 109.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 2.2 mtmp? 60.28 22.56 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.322 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.33 37.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 73.450000000000003 110.968 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.897 ' O ' HG13 ' A' ' 973' ' ' VAL . 15.4 tp -79.8 166.54 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 63.439999999999998 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -121.36 105.6 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 61.409999999999997 109.256 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 977' ' ' LEU . 0.2 OUTLIER -133.07 96.81 17.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.209999999999994 109.296 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 75.209999999999994 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.06 106.52 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.219999999999999 108.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -89.01 165.67 14.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.2 mttt -125.31 121.88 35.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 70.200000000000003 109.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.41 -17.21 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.351 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.14 -11.84 60.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 51.140000000000001 110.305 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.1 m-20 -118.45 -2.97 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 74.049999999999997 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 25.6 m-85 -118.15 -176.66 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.099999999999994 111.037 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.1 t -138.97 158.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.25 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.422 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -122.73 119.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.510000000000005 109.238 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -114.92 122.31 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 72.450000000000003 109.276 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 903' ' ' ILE . 42.1 m-85 -83.46 135.64 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 111.017 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 109.296 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . 0.498 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.3 ttpp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 72.510000000000005 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.35 129.19 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -106.81 111.23 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 73.439999999999998 110.356 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.5 m-85 -101.79 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.450000000000003 111.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.514 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.5 pttt -128.86 -46.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 64.230000000000004 109.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.486 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.1 OUTLIER -120.37 156.97 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 52.340000000000003 109.316 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.641 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.3 m95 -68.56 -25.13 64.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 74.430000000000007 107.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -63.02 -31.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.340000000000003 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.24 -21.84 65.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.219999999999999 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.34 113.76 22.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 52.109999999999999 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 63.039999999999999 110.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.79 132.54 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 75.209999999999994 109.313 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -73.89 139.7 45.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 71.400000000000006 110.389 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' 1006 ' ' LEU . 15.6 m-85 -110.31 165.9 11.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 71.010000000000005 111.018 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 64.109999999999999 110.965 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 898' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.8 t-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.284 -0.635 . . . . 51.439999999999998 109.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -106.49 127.0 29.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 71.230000000000004 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 900' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.04 0.34 9.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 71.109999999999999 111.023 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.6 t -84.57 -25.43 28.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 71.329999999999998 109.993 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 902' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -22.96 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 63.450000000000003 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 903' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -102.29 150.63 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.29 162.51 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 51.409999999999997 110.415 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.7 m-30 -99.06 140.86 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.299999999999997 110.964 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.612 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.8 OUTLIER -134.55 171.77 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 74.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 907' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 962' ' ' CYS . 52.6 t -89.79 119.47 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.98 -1.009 . . . . 53.140000000000001 110.892 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -50.75 -56.5 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.299999999999997 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.01 -58.72 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 72.409999999999997 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 910' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 911' ' ' SER . 76.0 m -99.71 -102.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 45.530000000000001 108.238 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.9 t 157.71 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 65.450000000000003 110.013 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.27 134.76 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 74.400000000000006 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.62 107.82 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 74.319999999999993 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 914' ' ' ALA . . . . . 0.464 ' HB3' ' HE2' ' A' ' 987' ' ' PHE . . . -87.24 -35.61 18.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.219999999999999 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.97 163.87 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 51.299999999999997 108.304 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.614 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 75.140000000000001 110.022 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.33 -47.89 66.62 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.442 1.089 . . . . 54.43 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -60.51 -22.68 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 74.430000000000007 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.63 31.1 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 43.219999999999999 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 920' ' ' ILE . . . . . 0.77 HD13 ' OD1' ' A' ' 930' ' ' ASN . 3.1 mm -133.5 155.75 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 921' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -118.06 164.08 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 109.582 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 922' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' 1010 ' ' PHE . 4.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.129999999999995 109.301 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 72.420000000000002 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 930' ' ' ASN . . . . . 0.77 ' OD1' HD13 ' A' ' 920' ' ' ILE . 60.0 t30 -105.12 95.96 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 72.010000000000005 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.89 47.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 62.109999999999999 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 932' ' ' THR . . . . . 0.639 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -106.39 125.13 33.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 61.539999999999999 110.391 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.28 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 65.409999999999997 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 934' ' ' GLU . . . . . 0.639 ' HG2' HG22 ' A' ' 932' ' ' THR . 4.5 pt-20 -56.41 -27.29 56.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 110.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 935' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 982' ' ' LEU . 33.2 t80 -65.01 -24.67 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.230000000000004 111.01 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.549 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.6 ptpt -63.8 -15.74 59.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 71.019999999999996 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -105.12 2.4 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.530000000000001 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.425 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.6 mt -111.17 -20.33 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.010000000000005 109.279 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.32 150.21 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 62.219999999999999 110.977 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 940' ' ' ILE . . . . . 0.671 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.04 137.1 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 64.019999999999996 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 941' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -96.27 134.62 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 73.129999999999995 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.638 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -110.58 122.41 47.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 64.430000000000007 110.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -49.72 104.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 53.240000000000002 110.262 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . 0.512 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.7 t30 -153.4 130.34 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 65.109999999999999 109.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.408 ' CB ' ' NZ ' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -96.65 -7.91 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.200000000000003 109.26 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 946' ' ' ALA . . . . . 0.512 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.11 -13.66 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 64.299999999999997 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.8 mm? -103.39 -77.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 73.400000000000006 109.251 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 948' ' ' GLN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 64.349999999999994 110.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 955' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 973' ' ' VAL . 15.5 tm0? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.334 -0.247 . . . . 75.310000000000002 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 956' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -118.33 155.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -99.71 -26.58 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 72.310000000000002 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.61 -137.77 5.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 41.520000000000003 111.046 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -125.51 129.82 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 61.439999999999998 110.323 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 960' ' ' ILE . . . . . 0.474 ' CD1' ' CD1' ' A' ' 982' ' ' LEU . 5.8 pt -86.48 136.74 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 961' ' ' ILE . . . . . 0.788 HG22 ' HA ' ' A' ' 967' ' ' ALA . 22.6 pt -137.16 145.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 61.420000000000002 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.3 p -62.04 -174.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 70.25 108.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 963' ' ' LYS . . . . . 0.671 ' HE2' HD11 ' A' ' 940' ' ' ILE . 2.3 mmmm -59.11 -51.63 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.324 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.77 -40.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 108.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 119.23 31.88 1.34 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.553 1.158 . . . . 73.340000000000003 110.973 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 20.7 tp60 -90.2 121.74 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 54.299999999999997 110.335 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 967' ' ' ALA . . . . . 0.788 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.63 98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 54.340000000000003 109.324 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 968' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 3.9 m0 -73.73 -36.89 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 71.099999999999994 108.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . 0.683 ' C ' ' HZ1' ' A' ' 983' ' ' LYS . . . 174.28 -126.94 1.25 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 61.310000000000002 110.991 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' THR . . . . . 0.568 HG23 ' NZ ' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -146.68 152.88 39.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 64.099999999999994 110.42 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' MET . . . . . 0.558 ' O ' HG23 ' A' ' 956' ' ' ILE . 18.3 tpp -97.39 92.54 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.140000000000001 111.022 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.2 mtp -81.82 149.19 28.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 111.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 6.4 t -123.2 150.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 70.140000000000001 109.291 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' HIS . . . . . 0.46 ' HB3' HD11 ' A' ' 979' ' ' LEU . 3.5 t-80 -140.1 101.53 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 73.510000000000005 109.641 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' LYS . . . . . 0.444 ' HB2' ' HZ2' ' A' ' 975' ' ' LYS . 5.2 mtmp? 60.65 24.66 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 64.540000000000006 109.298 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.13 -0.21 56.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 33.210000000000001 110.975 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 0.8 OUTLIER -79.35 164.13 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 71.239999999999995 109.276 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . 0.788 ' N ' HD13 ' A' ' 977' ' ' LEU . 1.0 OUTLIER -112.68 119.78 39.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 62.229999999999997 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -140.21 96.41 8.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 109.276 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.96 8.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 75.329999999999998 111.05 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.07 103.79 13.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.439999999999998 108.272 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 935' ' ' PHE . 0.4 OUTLIER -76.9 164.64 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 109.313 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' LYS . . . . . 0.683 ' HZ1' ' C ' ' A' ' 969' ' ' GLY . 24.0 mttt -129.65 117.21 20.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 65.010000000000005 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.5 mt -58.12 -23.3 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 54.32 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.1 OUTLIER -69.97 -5.94 29.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 110.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.6 m-20 -128.13 2.42 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 16.7 m-85 -123.0 -175.87 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 70.209999999999994 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 159.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.340000000000003 109.297 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 989' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.89 119.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 60.219999999999999 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 990' ' ' VAL . . . . . 0.612 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -117.84 119.87 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.140000000000001 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 991' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -81.69 136.93 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.420000000000002 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 53.119999999999997 109.322 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.236 -0.653 . . . . 62.119999999999997 109.236 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.02 159.44 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 72.129999999999995 109.269 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -134.64 108.08 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 61.450000000000003 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1000 ' ' TYR . . . . . 0.513 ' CD1' HG21 ' A' ' 989' ' ' VAL . 39.8 m-85 -95.79 -176.11 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 72.109999999999999 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1001 ' ' LYS . . . . . 0.508 ' CA ' HG22 ' A' ' 984' ' ' ILE . 1.7 pttm -120.23 -49.16 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 70.430000000000007 109.245 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1002 ' ' LYS . . . . . 0.514 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -119.29 158.83 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.409999999999997 109.312 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1003 ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 984' ' ' ILE . 56.3 m95 -70.75 -18.77 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.340000000000003 107.968 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1004 ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -70.53 -30.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.209999999999994 109.284 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -66.34 -23.92 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 65.400000000000006 110.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' 1006 ' ' LEU . 7.5 tp -68.3 113.07 13.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 109.293 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1007 ' ' PRO . . . . . 0.486 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.01 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 65.540000000000006 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1008 ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.61 131.51 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 75.519999999999996 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -72.78 153.96 40.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.329999999999998 110.376 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1010 ' ' PHE . . . . . 0.449 ' HE1' HD23 ' A' 1006 ' ' LEU . 9.3 m-85 -128.11 165.99 26.97 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 75.530000000000001 111.023 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 74.030000000000001 110.975 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . 0.518 ' C ' HD22 ' A' ' 893' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.964 -0.855 . . . . 63.409999999999997 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.532 ' N ' HD22 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.99 -69.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 70.530000000000001 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 892' ' ' PRO . 0.3 OUTLIER 48.72 50.0 17.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.230000000000004 109.292 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -109.93 -178.34 21.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.153 . . . . 50.43 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 37.8 t -118.16 -73.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 70.030000000000001 110.033 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -118.27 160.06 22.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 73.530000000000001 111.028 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.713 ' HZ3' ' HE1' ' A' ' 991' ' ' PHE . 4.9 ttpp -134.45 13.1 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 52.009999999999998 109.285 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 28.1 t-20 -92.25 21.43 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 74.400000000000006 109.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -106.65 126.91 29.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.019999999999996 109.286 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.56 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.99 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 62.530000000000001 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.8 t -83.9 -25.83 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 110.012 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.766 HD13 ' ND2' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -89.01 -23.6 22.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 72.329999999999998 109.311 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.563 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -99.66 156.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.845 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.91 160.0 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 62.509999999999998 110.391 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -99.85 139.94 34.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 72.129999999999995 110.996 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.1 mt -134.18 175.89 9.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.240000000000002 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -91.33 121.7 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.948 -1.024 . . . . 63.020000000000003 110.949 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -52.61 -59.87 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 74.140000000000001 109.297 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -45.86 -58.41 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.439999999999998 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.14 -101.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 62.219999999999999 108.27 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.56 42.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 75.150000000000006 109.992 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.73 134.37 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 53.219999999999999 109.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.845 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.98 106.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 42.549999999999997 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.15 -35.52 20.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 70.319999999999993 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.83 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.12 168.96 2.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 64.420000000000002 108.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.423 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.1 m -108.7 158.45 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 54.100000000000001 110.015 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.55 88.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.958 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.3 pt-20 -65.29 -24.49 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 72.150000000000006 110.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -93.06 30.62 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 109.29 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.37 152.34 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 72.340000000000003 109.355 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.884 ' CE1' HD12 ' A' 1013 ' ' LEU . 14.4 m80 -118.95 156.65 29.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 71.420000000000002 109.613 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.0 t -118.13 153.45 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 72.230000000000004 109.269 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' 1013 ' ' LEU . 13.4 mm -126.1 107.47 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.329999999999998 109.288 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.29 21.47 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 75.230000000000004 110.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.426 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 1.0 OUTLIER 51.06 24.41 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 75.230000000000004 109.301 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.407 ' HE3' ' HB3' ' A' ' 926' ' ' MET . 7.7 ptp -119.03 -35.14 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 72.109999999999999 111.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -121.89 134.47 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 75.5 109.59 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.54 ' CD2' ' CD1' ' A' 1003 ' ' TRP . 0.8 OUTLIER -101.52 109.08 20.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 55.439999999999998 109.587 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 923' ' ' ILE . 3.4 m -116.08 133.23 63.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 4.6 t-20 -97.49 96.74 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 63.520000000000003 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 57.1 mmm -83.27 46.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 52.030000000000001 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.83 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.4 OUTLIER -106.29 121.27 45.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 110.422 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 73.129999999999995 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -59.97 -29.09 68.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 63.409999999999997 110.29 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 70.6 t80 -66.4 -21.55 66.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 74.420000000000002 110.965 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.584 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.94 -15.23 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 53.310000000000002 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.17 6.06 32.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 75.340000000000003 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 935' ' ' PHE . 7.5 mt -112.27 -13.36 13.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 109.269 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.671 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.64 150.39 48.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.349999999999994 111.002 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.702 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -126.65 137.18 58.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 51.119999999999997 109.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.671 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.69 134.83 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.847 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -108.42 142.08 39.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 61.32 110.309 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -66.18 104.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 71.510000000000005 110.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.511 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.7 t30 -155.26 131.24 10.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -96.59 -8.69 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.439999999999998 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.511 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.37 -13.9 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 52.409999999999997 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.7 mm? -104.13 -76.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.521 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -58.15 161.54 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 75.219999999999999 110.347 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 0.2 OUTLIER -146.87 151.27 36.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.329999999999998 109.326 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.75 -75.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 70.019999999999996 109.316 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.88 95.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 62.43 108.246 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -176.27 -177.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.29 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -110.43 -26.45 9.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 74.150000000000006 109.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -109.77 94.21 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 55.219999999999999 111.024 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.485 HE22 ' NE2' ' A' ' 948' ' ' GLN . 35.8 tp60 -67.62 129.92 41.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 110.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 971' ' ' MET . 1.3 mm -111.95 156.63 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 72.349999999999994 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . 0.499 ' ND2' HG21 ' A' ' 973' ' ' VAL . 0.9 OUTLIER -95.69 -27.82 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.43 -137.88 5.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 71.120000000000005 110.995 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -122.04 122.19 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 72.109999999999999 110.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.539 HG22 HG23 ' A' ' 941' ' ' VAL . 5.6 pt -78.44 136.39 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 70.439999999999998 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.847 HD11 ' HD3' ' A' ' 942' ' ' ARG . 30.7 pt -138.12 144.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 62.240000000000002 109.332 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -62.88 -174.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 108.269 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.702 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.31 -51.53 69.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 61.350000000000001 109.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.3 m -56.11 -40.32 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.409999999999997 108.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 120.12 35.69 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 64.450000000000003 111.033 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 32.3 tp60 -94.28 116.82 29.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 53.399999999999999 110.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.44 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 41.200000000000003 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -71.76 -28.72 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 107.99 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.557 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.59 -117.45 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 74.150000000000006 110.995 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -155.97 156.06 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 63.539999999999999 110.417 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 956' ' ' ILE . 17.3 tpp -101.83 97.51 7.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.012 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 23.6 mtp -82.09 145.4 30.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 65.420000000000002 110.99 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 2.7 t -126.62 144.96 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.230000000000004 109.281 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.594 ' CD2' ' OH ' ' A' 1015 ' ' TYR . 2.1 t-80 -133.86 98.61 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 109.585 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 1.8 mttp 60.75 20.16 10.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 60.020000000000003 109.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.58 8.52 28.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 73.209999999999994 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.4 tp -79.41 164.85 23.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 72.510000000000005 109.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -122.54 106.83 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 54.130000000000003 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -133.73 96.64 16.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.310000000000002 109.266 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.476 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -75.01 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 60.450000000000003 111.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.29 105.61 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 71.439999999999998 108.34 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 1.0 OUTLIER -87.98 166.01 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 72.299999999999997 109.281 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.413 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.8 mttt -129.53 122.2 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 73.049999999999997 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -58.9 -19.31 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.85 -6.52 42.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.4 m-20 -124.21 -1.12 8.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 72.340000000000003 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.8 m-85 -121.63 -176.54 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 72.340000000000003 111.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.502 HG11 ' NZ ' ' A' ' 997' ' ' LYS . 11.2 t -138.54 160.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 63.140000000000001 109.257 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.532 HG11 HD11 ' A' 1006 ' ' LEU . 2.8 t -123.71 119.8 58.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.400000000000006 109.275 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -113.9 122.41 67.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 51.219999999999999 109.26 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.713 ' HE1' ' HZ3' ' A' ' 897' ' ' LYS . 59.2 m-85 -84.75 135.88 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.200000000000003 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -85.94 -43.7 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.766 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.75 -53.44 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 55.409999999999997 109.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 994' ' ' ASN . 0.5 OUTLIER -125.98 145.3 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 73.140000000000001 109.34 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . 0.401 ' C ' ' OG1' ' A' ' 996' ' ' THR . 28.5 m -69.97 90.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 72.409999999999997 110.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.449 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 7.3 m -156.31 162.96 40.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 110.379 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.502 ' NZ ' HG11 ' A' ' 988' ' ' VAL . 9.0 ttmm -133.88 117.05 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.449 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.72 131.84 53.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 65.349999999999994 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.98 111.37 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 74.540000000000006 110.289 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.468 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 94.9 m-85 -102.88 -170.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.510000000000005 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 48.9 pttt -128.01 -46.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.354 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.671 ' HB3' HG12 ' A' 1004 ' ' VAL . 35.7 mttt -120.7 156.03 32.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 74.409999999999997 109.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.704 ' HA ' HD12 ' A' ' 984' ' ' ILE . 26.3 m95 -67.6 -24.79 65.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 73.219999999999999 108.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.671 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -62.78 -29.8 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 74.340000000000003 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -70.98 -21.39 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CZ ' ' A' 1010 ' ' PHE . 6.5 tp -68.24 113.16 13.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.219999999999999 109.35 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.02 -1.51 11.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 61.310000000000002 110.977 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.2 132.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 109.284 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.9 m -76.37 137.68 39.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 75.019999999999996 110.39 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' A' 1006 ' ' LEU . 4.1 m-85 -112.23 165.52 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 111.031 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.04 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 73.319999999999993 110.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -147.42 104.57 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.019999999999996 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.884 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -120.03 117.74 28.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 41.140000000000001 109.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' 1017 ' ' GLU . 24.2 m-20 -99.83 103.51 15.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 64.299999999999997 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' 1016 ' ' SER . 0.4 OUTLIER -53.75 -39.5 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 74.420000000000002 110.959 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.652 ' N ' ' CD1' ' A' 1015 ' ' TYR . 3.1 t -50.47 -24.16 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 110.0 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' 1014 ' ' ASP . 5.0 mm-40 -38.95 -47.55 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 72.319999999999993 110.305 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . 0.517 ' HB2' HD22 ' A' 1020 ' ' LEU . 19.4 p -93.51 121.8 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 71.340000000000003 108.263 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 8.7 t -122.6 21.84 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.665 ' N ' HD13 ' A' 1020 ' ' LEU . 0.0 OUTLIER -74.21 -69.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 75.239999999999995 109.277 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -38.0 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 70.109999999999999 111.012 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' 1020 ' ' LEU . 46.8 t -40.8 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 61.420000000000002 110.008 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -120.28 -41.87 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 75.140000000000001 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.45 171.38 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 73.319999999999993 110.325 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 62.0 109.299 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.975 -0.85 . . . . 70.140000000000001 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.496 ' O ' HD23 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.96 139.34 24.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 70.530000000000001 111.045 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 892' ' ' PRO . 5.8 mt -113.22 -174.81 2.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 71.340000000000003 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 175.86 176.64 44.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 64.450000000000003 111.02 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 1.2 t -98.17 46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 72.129999999999995 110.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -129.81 53.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 75.409999999999997 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -131.94 9.77 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 75.329999999999998 109.293 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 -91.1 45.11 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 70.510000000000005 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -126.56 122.7 23.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 73.099999999999994 109.273 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.543 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.97 0.9 8.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 34.340000000000003 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 6.9 t -84.57 -23.91 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 71.120000000000005 109.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.726 HD13 ' ND2' ' A' ' 993' ' ' ASN . 1.4 mt -88.87 -26.42 21.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 73.409999999999997 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.604 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.6 OUTLIER -96.26 150.88 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 71.299999999999997 109.329 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.839 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.65 160.85 39.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 110.389 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.571 ' O ' HD23 ' A' ' 906' ' ' LEU . 8.6 m-30 -100.61 141.89 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 43.350000000000001 110.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.1 mt -135.92 175.27 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.340000000000003 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.7 t -90.56 121.53 32.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.012 -0.995 . . . . 72.109999999999999 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -51.96 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 71.099999999999994 109.31 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.23 -57.9 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 65.230000000000004 109.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -99.9 -101.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 65.420000000000002 108.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.5 t 155.83 42.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 53.420000000000002 109.994 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.05 132.68 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 51.310000000000002 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.68 107.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 64.319999999999993 109.261 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.413 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.17 -35.11 20.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 55.439999999999998 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.975 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.41 170.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 64.340000000000003 108.332 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 10.8 t -100.62 163.3 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 72.209999999999994 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . 0.531 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -69.64 -29.18 71.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 65.450000000000003 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 14.4 pt-20 -83.77 -19.59 34.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 73.200000000000003 110.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.32 22.6 4.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.010000000000005 109.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.462 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -120.25 156.85 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 63.409999999999997 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.871 ' ND1' HD12 ' A' 1013 ' ' LEU . 8.8 m170 -117.19 157.86 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 74.129999999999995 109.616 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 4.1 t -123.81 148.86 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 75.239999999999995 109.28 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.794 HD11 ' CE1' ' A' 1015 ' ' TYR . 1.4 mm -125.01 113.86 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 109.305 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 926' ' ' MET . 30.5 mt-10 50.37 27.92 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 110.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.3 mptt 43.05 28.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 74.510000000000005 109.306 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.435 ' N ' ' C ' ' A' ' 924' ' ' GLU . 18.2 ptm -121.16 -37.56 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 74.239999999999995 110.938 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.409 ' N ' ' CG ' ' A' ' 926' ' ' MET . 24.3 m170 -127.49 113.45 16.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 74.340000000000003 109.627 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -89.23 106.71 18.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.230000000000004 109.575 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 10.0 m -105.48 142.2 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 64.109999999999999 109.296 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -96.75 95.94 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 44.229999999999997 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.1 mmm -84.19 46.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 110.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.975 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -104.63 122.47 43.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 75.099999999999994 110.372 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 73.310000000000002 111.013 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.565 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -59.47 -28.55 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 73.430000000000007 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 83.9 t80 -69.0 -18.75 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 65.540000000000006 110.988 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.22 -17.61 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 65.329999999999998 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.93 4.48 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 61.340000000000003 110.321 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.554 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 17.1 mt -108.58 -11.85 15.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 63.109999999999999 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.95 149.95 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.991 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.85 137.54 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.540000000000006 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.32 136.99 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 73.519999999999996 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -113.69 138.93 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 70.310000000000002 110.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -61.3 104.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 75.010000000000005 110.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.556 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 1.7 t30 -157.46 117.33 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 52.420000000000002 109.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -86.7 -9.16 56.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 109.304 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.556 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -61.47 -14.87 32.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.319999999999993 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.512 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -105.91 -59.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 72.230000000000004 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.592 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -77.55 146.58 36.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 73.349999999999994 110.248 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.592 ' N ' HE21 ' A' ' 948' ' ' GLN . 10.5 mtpm? -136.29 178.82 6.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 952' ' ' ALA . 10.3 mptt -100.76 -79.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 63.329999999999998 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 60.7 m -49.81 95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 74.219999999999999 108.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.07 -177.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 74.049999999999997 109.266 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -110.74 -26.05 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.43 109.336 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -110.2 94.94 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 71.129999999999995 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.448 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.3 tp60 -67.18 130.7 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 74.040000000000006 110.295 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.06 158.33 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 60.100000000000001 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.76 -25.46 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 71.5 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.29 -137.09 4.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 41.020000000000003 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -125.63 131.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 75.409999999999997 110.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 939' ' ' TYR . 5.7 pt -86.41 131.96 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.708 HG22 ' HA ' ' A' ' 967' ' ' ALA . 24.6 pt -133.98 142.85 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.0 OUTLIER -61.9 -174.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 34.039999999999999 108.306 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.792 ' HA ' ' HZ3' ' A' ' 963' ' ' LYS . 0.2 OUTLIER -59.93 -51.58 69.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 109.327 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.76 -39.24 70.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 108.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.17 37.33 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 61.399999999999999 111.008 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.1 tp60 -96.72 118.21 32.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 73.140000000000001 110.3 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.708 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.03 99.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 51.439999999999998 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.554 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 6.3 m0 -72.25 -31.1 65.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 108.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.99 -123.45 1.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 63.420000000000002 111.015 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.3 149.58 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 74.439999999999998 110.464 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 956' ' ' ILE . 24.8 tpp -97.25 93.22 6.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 110.993 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 25.6 mtp -81.92 147.89 29.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 54.450000000000003 110.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.2 t -123.77 145.47 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.420000000000002 109.278 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.571 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.9 t-80 -134.18 100.41 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.120000000000005 109.539 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.519 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 18.8 mttm 61.02 20.94 11.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 71.120000000000005 109.287 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.7 37.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 8.4 tp -79.48 166.38 22.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 72.319999999999993 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -122.57 100.89 7.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 70.150000000000006 109.315 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.716 HD22 ' OH ' ' A' 1015 ' ' TYR . 0.1 OUTLIER -124.49 96.5 41.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 72.319999999999993 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 71.420000000000002 110.994 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.76 105.13 17.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 64.439999999999998 108.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -86.03 167.45 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 70.239999999999995 109.285 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.426 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 20.6 mttt -128.38 122.54 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 75.239999999999995 109.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -60.22 -17.91 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.539999999999999 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.47 -11.68 60.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.5 110.265 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -118.48 -6.28 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.010000000000005 109.266 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.4 m-85 -114.83 -177.87 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 111.02 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.413 HG22 HE21 ' A' ' 999' ' ' GLN . 11.8 t -140.46 156.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 65.540000000000006 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -121.12 119.47 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 72.5 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -115.71 124.26 71.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.010000000000005 109.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.604 ' CD1' HG22 ' A' ' 903' ' ' ILE . 60.9 m-85 -84.83 136.5 33.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 70.140000000000001 110.997 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.82 -43.92 12.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 72.109999999999999 109.316 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.726 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.74 -54.1 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 72.140000000000001 109.327 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -125.01 138.65 54.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 73.439999999999998 109.275 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 33.2 m -64.58 91.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 71.329999999999998 109.989 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 8.0 m -153.52 163.25 40.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 62.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.433 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.3 ttmt -133.72 113.73 12.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 71.439999999999998 109.309 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.52 138.66 41.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . 0.413 HE21 HG22 ' A' ' 988' ' ' VAL . 8.2 tt0 -119.31 112.78 19.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 73.200000000000003 110.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 97.1 m-85 -105.46 -170.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 111.021 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.576 ' CA ' HG22 ' A' ' 984' ' ' ILE . 21.2 pttt -129.34 -45.53 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.450000000000003 109.338 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.637 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.9 mmtp -117.14 150.31 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 109.271 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.77 ' HA ' HD12 ' A' ' 984' ' ' ILE . 43.3 m95 -64.88 -36.96 86.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 108.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.637 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.7 OUTLIER -49.58 -28.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 75.010000000000005 109.323 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.03 -37.57 86.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.230000000000004 110.349 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.901 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -50.24 110.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 72.5 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.428 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 0.1 9.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 73.400000000000006 111.025 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -92.7 134.3 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 64.409999999999997 109.297 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -70.16 150.79 46.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 63.409999999999997 110.377 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.901 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.1 m-85 -126.3 165.61 26.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 61.200000000000003 111.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.7 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 65.319999999999993 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -149.21 108.53 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.284 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.871 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.88 122.56 41.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 65.140000000000001 109.283 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.563 ' HA ' HD13 ' A' ' 923' ' ' ILE . 7.9 t70 -107.89 165.05 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 72.329999999999998 109.279 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.794 ' CE1' HD11 ' A' ' 923' ' ' ILE . 9.6 m-30 -89.09 -42.84 11.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 64.5 111.005 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.445 ' CB ' ' OD1' ' A' 1014 ' ' ASP . 1.0 OUTLIER -44.54 -26.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 62.130000000000003 109.986 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' 1015 ' ' TYR . 25.9 mt-10 -38.72 -52.87 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 62.310000000000002 110.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . 0.525 ' CB ' HD23 ' A' 1020 ' ' LEU . 3.4 m -98.85 167.6 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 41.25 108.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 90.6 m -124.5 52.51 1.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 108.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' 1020 ' ' LEU . 0.3 OUTLIER -84.07 -40.15 18.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 977' ' ' LEU . 12.0 m-85 -65.33 -9.96 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 72.430000000000007 111.01 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.15 46.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 75.109999999999999 109.973 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 13.7 t0 -98.2 -28.86 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 61.240000000000002 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.29 170.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 65.420000000000002 110.322 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 63.130000000000003 109.324 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 52.219999999999999 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.503 ' O ' HD23 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.0 134.95 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 70.120000000000005 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 892' ' ' PRO . 6.1 mt -113.28 -175.64 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.293 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 164.01 146.72 4.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 72.109999999999999 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -170.91 -176.53 2.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 73.400000000000006 110.02 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -52.1 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 72.140000000000001 111.017 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -174.14 176.9 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 45.439999999999998 109.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 6.5 t-20 67.82 26.8 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.450000000000003 109.326 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -117.85 127.31 26.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 61.43 109.317 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.03 0.27 9.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.517 1.798 . . . . 35.229999999999997 111.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 11.7 t -84.09 -27.28 28.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.340000000000003 109.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.632 HD13 ' ND2' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -86.36 -23.34 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 109.335 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.81 154.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 63.130000000000003 109.304 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.835 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.36 159.07 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.530000000000001 110.422 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.8 m-30 -100.21 138.32 37.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 110.989 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 913' ' ' LEU . 1.0 OUTLIER -132.47 177.34 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 109.352 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -90.71 125.26 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.993 -1.003 . . . . 74.450000000000003 110.907 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -55.33 -59.4 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.409999999999997 109.306 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -46.35 -57.96 4.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 73.299999999999997 109.331 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.1 m -98.87 -101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 74.120000000000005 108.255 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.6 OUTLIER 154.08 42.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 72.439999999999998 110.016 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 136.99 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 73.530000000000001 109.257 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.88 106.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 72.140000000000001 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.408 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.26 -34.93 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 70.329999999999998 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.411 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.7 p -176.31 161.52 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 42.140000000000001 108.257 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.695 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.58 158.44 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 70.140000000000001 109.984 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.46 -46.85 57.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 55.32 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -60.89 -28.97 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 53.409999999999997 110.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -93.98 31.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 54.219999999999999 109.319 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.718 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.56 145.0 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 71.310000000000002 109.337 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.699 ' CG ' HD12 ' A' 1013 ' ' LEU . 74.8 m80 -109.12 175.45 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 71.209999999999994 109.623 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 7.7 t -136.88 157.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 71.040000000000006 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 923' ' ' ILE . 5.4 mm -134.26 116.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 72.230000000000004 109.258 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.51 24.95 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 63.409999999999997 110.307 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.414 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 1.9 mptt 46.5 27.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 72.530000000000001 109.265 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 926' ' ' MET . 7.2 ptp -121.82 -38.23 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.239999999999995 110.973 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.429 ' N ' ' CG ' ' A' ' 926' ' ' MET . 5.8 m170 -118.69 132.81 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 72.239999999999995 109.643 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.518 ' CE1' ' CD2' ' A' 1010 ' ' PHE . 0.1 OUTLIER -104.88 101.73 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.439999999999998 109.592 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.518 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.5 m -105.68 145.56 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 60.109999999999999 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.718 ' OD1' HD13 ' A' ' 920' ' ' ILE . 62.7 t30 -102.57 96.02 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 71.120000000000005 109.315 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 5.8 mtt -82.5 47.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 75.129999999999995 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -107.77 127.01 28.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 63.420000000000002 110.412 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 74.540000000000006 111.027 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.64 ' HG2' HG22 ' A' ' 932' ' ' THR . 11.4 pt-20 -55.37 -32.79 62.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.340000000000003 110.311 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 53.7 t80 -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 73.510000000000005 110.965 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.7 ptpt -63.83 -16.12 60.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 65.010000000000005 109.28 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -105.1 3.24 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 54.219999999999999 110.258 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.532 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -112.27 -18.2 12.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 72.230000000000004 109.284 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.665 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.56 149.64 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 64.299999999999997 110.966 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.09 137.13 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 109.339 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.665 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -99.68 131.36 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 54.450000000000003 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.614 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -106.23 121.22 43.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 110.316 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -46.56 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 65.430000000000007 110.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.5 t30 -158.14 129.56 6.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.430000000000007 109.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -96.5 -7.27 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.295 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.23 -13.15 47.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 43.009999999999998 109.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.87 -58.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.120000000000005 109.279 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -78.85 146.34 33.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 72.230000000000004 110.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.593 ' N ' HE21 ' A' ' 948' ' ' GLN . 10.3 mmmt -134.1 179.49 6.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 109.275 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 952' ' ' ALA . 1.6 mptp? -97.17 -78.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 71.420000000000002 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.29 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 54.329999999999998 108.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.27 -178.89 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 71.409999999999997 109.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.96 -26.92 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 54.530000000000001 109.266 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -114.33 97.04 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 71.25 111.013 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.6 tm0? -67.09 130.84 44.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.53 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -103.96 159.45 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 72.439999999999998 109.259 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -101.99 -25.88 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 71.150000000000006 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.72 -137.79 5.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 64.150000000000006 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -125.61 129.23 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 70.310000000000002 110.246 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.423 HG22 HG23 ' A' ' 941' ' ' VAL . 20.5 pt -89.08 130.41 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 72.099999999999994 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.816 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.6 pt -130.82 149.35 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 60.240000000000002 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.65 -174.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 62.210000000000001 108.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.6 mmmm -61.32 -51.74 67.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 54.100000000000001 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.0 m -55.34 -36.01 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 42.43 108.292 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.13 35.57 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.4 tp60 -92.94 123.51 36.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 55.520000000000003 110.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.816 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.43 95.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 70.219999999999999 109.33 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.7 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -69.8 -42.56 73.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 65.540000000000006 107.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.466 ' CA ' ' HD3' ' A' ' 983' ' ' LYS . . . 174.34 -123.68 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 73.430000000000007 110.977 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 2.9 p -146.06 170.07 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 74.030000000000001 110.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.48 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -116.08 96.75 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 110.998 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 7.7 mtp -82.04 154.42 25.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 64.409999999999997 110.988 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -126.35 148.6 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 52.149999999999999 109.278 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.692 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 2.3 t-80 -139.63 102.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 74.019999999999996 109.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 7.6 mttp 61.54 24.01 14.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.21 2.35 55.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 64.040000000000006 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.86 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.41 166.93 21.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 75.450000000000003 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.714 ' N ' HD23 ' A' ' 977' ' ' LEU . 99.0 m-20 -116.4 118.0 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.140000000000001 109.328 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.565 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 0.2 OUTLIER -135.54 96.46 13.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 72.109999999999999 109.338 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.01 116.63 4.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 73.519999999999996 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . 0.548 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.6 m -95.43 114.59 26.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 70.510000000000005 108.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -100.6 146.07 27.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 61.409999999999997 109.316 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.552 ' N ' ' CD ' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -108.75 125.26 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 74.310000000000002 109.28 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.5 mt -58.76 -25.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.3 ptp180 -67.05 -7.54 23.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 71.510000000000005 110.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.8 m-20 -120.16 -3.37 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.219999999999999 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.7 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.6 m-85 -122.84 -175.74 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.25 111.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.478 HG22 HE21 ' A' ' 999' ' ' GLN . 9.3 t -139.89 160.09 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 109.275 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.66 123.23 68.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 71.430000000000007 109.273 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -117.43 119.34 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 903' ' ' ILE . 40.1 m-85 -80.38 135.2 36.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 64.150000000000006 111.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -85.31 -40.06 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.632 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.78 -55.55 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 65.329999999999998 109.316 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -128.43 153.32 47.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 73.140000000000001 109.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 3.8 p -71.5 90.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.010000000000005 109.963 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.515 HG21 ' HE3' ' A' ' 998' ' ' LYS . 4.2 m -154.82 159.81 40.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 41.229999999999997 110.404 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.519 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.0 ttpp -133.66 116.78 16.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 71.349999999999994 109.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 996' ' ' THR . 1.1 mptm? -107.0 129.0 54.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 74.230000000000004 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . 0.478 HE21 HG22 ' A' ' 988' ' ' VAL . 10.5 tt0 -106.92 109.64 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.420000000000002 110.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.461 ' CB ' HG21 ' A' ' 984' ' ' ILE . 94.7 m-85 -101.41 -172.84 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 71.030000000000001 111.041 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.7 pttt -123.86 -49.67 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 74.319999999999993 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.729 ' HB3' HG12 ' A' 1004 ' ' VAL . 31.4 mttt -118.7 160.69 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.563 ' HA ' HD12 ' A' ' 984' ' ' ILE . 37.2 m95 -72.33 -22.41 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 72.140000000000001 108.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.729 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -63.75 -21.03 27.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -77.99 -28.47 49.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 71.439999999999998 110.349 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -61.2 111.32 4.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 109.291 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.05 -0.19 9.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 72.219999999999999 110.968 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.38 137.02 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 3.4 t -72.0 158.56 35.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 53.509999999999998 110.379 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.562 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.1 m-85 -139.91 165.7 29.08 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.510000000000005 110.983 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -169.64 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 75.439999999999998 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -149.3 104.91 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 109.27 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 921' ' ' HIS . 4.7 mt -98.73 171.3 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 72.430000000000007 109.323 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.53 133.64 16.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.030000000000001 109.237 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.692 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 21.7 m-30 -62.09 -41.46 98.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 75.200000000000003 110.953 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.6 t -40.65 -29.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.971 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' 1015 ' ' TYR . 38.0 mm-40 -62.1 -49.92 73.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 70.25 110.279 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.6 m -76.47 87.62 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.150000000000006 108.346 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.4 ' C ' HD13 ' A' 1020 ' ' LEU . 1.8 m -108.89 35.54 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 51.43 108.309 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.779 ' N ' HD13 ' A' 1020 ' ' LEU . 0.0 OUTLIER -82.26 -72.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 109.336 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -86.32 -9.27 56.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.010000000000005 111.006 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 1.1 m -76.39 64.21 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.319999999999993 109.983 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' 1024 ' ' GLU . 93.1 m-20 -125.38 31.32 5.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 70.329999999999998 109.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' 1023 ' ' ASP . 0.0 OUTLIER -48.37 176.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 70.519999999999996 110.328 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 109.32 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.031 -0.828 . . . . 72.409999999999997 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.91 36.32 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 42.350000000000001 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.77 -176.31 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 73.400000000000006 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 174.28 114.9 0.37 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 74.439999999999998 111.007 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 6.6 t -172.18 170.12 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 62.100000000000001 109.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -88.95 166.9 13.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 72.430000000000007 111.008 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.473 ' O ' HD11 ' A' 1008 ' ' ILE . 15.0 mtmt -136.06 27.58 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 72.209999999999994 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 -93.13 22.1 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 75.209999999999994 109.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -112.1 127.61 26.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 54.399999999999999 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.512 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -75.01 -0.31 9.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 63.409999999999997 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.9 -26.57 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 43.439999999999998 109.987 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.668 HD13 ' ND2' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -87.4 -22.98 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -102.22 151.96 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 71.010000000000005 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.832 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.31 161.63 38.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.43 110.406 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.8 m-30 -100.83 141.4 33.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 62.020000000000003 111.027 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -135.6 175.85 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 62.219999999999999 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.8 t -91.0 122.09 33.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.966 -1.015 . . . . 74.450000000000003 110.931 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -52.04 -60.53 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.284 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -45.83 -59.95 2.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 109.277 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.8 m -97.41 -100.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 108.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.7 m 153.93 42.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.150000000000006 109.99 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.7 m -93.32 132.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 25.530000000000001 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.832 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -63.23 108.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.422 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -88.46 -34.68 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 52.109999999999999 109.31 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.2 p -178.65 162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 70.510000000000005 108.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.31 157.09 18.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.985 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -51.36 -46.52 52.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 64.420000000000002 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.405 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.7 pp20? -63.26 -27.72 69.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 55.530000000000001 110.33 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.85 31.28 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 63.020000000000003 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.524 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.4 mm -133.45 156.59 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 53.109999999999999 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.577 ' CG ' HD12 ' A' 1013 ' ' LEU . 14.1 m80 -122.48 162.48 21.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.540000000000006 109.623 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 4.2 t -124.55 163.11 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 73.200000000000003 109.316 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.555 HD13 ' CE2' ' A' 1015 ' ' TYR . 2.7 mt -130.47 110.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 75.230000000000004 109.286 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 923' ' ' ILE . 2.4 pt-20 40.94 29.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.420000000000002 110.257 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.528 ' CD ' ' N ' ' A' ' 925' ' ' LYS . 0.0 OUTLIER 46.79 49.56 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 75.310000000000002 109.313 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.52 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 19.7 ptm -135.5 -42.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 70.319999999999993 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.52 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.4 m170 -127.15 134.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 73.010000000000005 109.604 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -95.52 106.61 18.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 63.039999999999999 109.555 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.95 138.62 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.04 95.84 6.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 71.530000000000001 109.325 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.9 mmt -84.51 46.01 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 72.109999999999999 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.416 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -104.71 123.85 38.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 63.299999999999997 110.397 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 71.549999999999997 110.981 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.416 ' HG2' HG22 ' A' ' 932' ' ' THR . 12.0 pt-20 -59.16 -34.28 71.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 64.109999999999999 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 938' ' ' LEU . 70.0 t80 -59.97 -20.3 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 63.25 111.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -65.02 -16.44 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 109.282 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.11 6.03 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.140000000000001 110.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 935' ' ' PHE . 13.5 mt -110.75 -17.16 13.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.306 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -125.37 151.51 46.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 110.982 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.5 mt -124.96 137.96 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 109.295 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.668 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.53 137.27 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 109.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.745 ' HD3' HD11 ' A' ' 961' ' ' ILE . 1.1 mpt_? -113.98 120.91 42.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -47.91 104.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 65.140000000000001 110.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -153.9 129.64 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 75.200000000000003 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -8.17 31.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 72.230000000000004 109.319 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.04 -13.4 35.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 52.350000000000001 109.312 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.6 mm? -101.32 -58.52 1.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 75.030000000000001 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.584 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -72.37 145.91 47.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.439999999999998 110.306 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.584 ' N ' HE21 ' A' ' 948' ' ' GLN . 26.4 mmtp -134.63 147.84 50.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 952' ' ' ALA . 13.3 mptt -66.64 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 64.099999999999994 109.339 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.18 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.239999999999995 108.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -177.27 173.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 70.409999999999997 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.1 -34.37 9.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 73.329999999999998 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . 0.48 ' CG ' ' SD ' ' A' ' 972' ' ' MET . 9.4 m-85 -108.19 93.47 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.340000000000003 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.467 ' O ' HG23 ' A' ' 973' ' ' VAL . 6.7 tm0? -67.2 138.62 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 32.310000000000002 110.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -109.83 157.87 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 73.099999999999994 109.33 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -106.01 -23.11 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 73.120000000000005 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 165.71 -153.9 24.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.167 . . . . 74.530000000000001 110.965 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -119.72 122.11 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 73.310000000000002 110.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.668 HG22 HG23 ' A' ' 941' ' ' VAL . 14.7 pt -79.71 134.28 27.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 64.349999999999994 109.26 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.841 HG22 ' HA ' ' A' ' 967' ' ' ALA . 27.7 pt -136.48 148.32 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 73.439999999999998 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.25 -175.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.430000000000007 108.26 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -59.41 -51.84 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.255 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 6.9 m -55.02 -38.41 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.209999999999994 108.305 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.42 33.44 1.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.554 1.159 . . . . 72.420000000000002 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.9 tp60 -92.65 123.49 35.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 74.439999999999998 110.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.841 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.78 101.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.140000000000001 109.347 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 4.9 m0 -76.78 -36.98 56.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 108.031 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 970' ' ' THR . . . 174.29 -127.74 1.36 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 72.030000000000001 110.991 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.609 HG23 ' HZ1' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -154.22 138.68 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 72.030000000000001 110.412 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.552 ' O ' HG23 ' A' ' 956' ' ' ILE . 1.3 ttm -85.79 105.95 16.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.219999999999999 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 9.7 mtm -81.85 169.37 16.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 53.439999999999998 110.995 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 955' ' ' GLN . 21.2 t -140.16 136.2 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 74.540000000000006 109.338 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.509 ' CE1' ' CZ ' ' A' 1021 ' ' PHE . 1.9 t-80 -129.91 100.19 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 60.020000000000003 109.612 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.9 mttp 60.66 18.75 8.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 42.25 109.269 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.35 27.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 111.011 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' 1021 ' ' PHE . 14.6 tp -85.47 166.68 16.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 71.430000000000007 109.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -118.83 113.39 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.275 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' 1015 ' ' TYR . 0.2 OUTLIER -139.24 102.26 7.43 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 122.73 7.35 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 55.549999999999997 110.972 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.81 100.69 10.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 108.274 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.8 OUTLIER -81.51 165.38 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.289 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.609 ' HZ1' HG23 ' A' ' 970' ' ' THR . 40.2 mttt -128.69 122.37 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -59.11 -22.09 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.040000000000006 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.479 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 2.9 ptt180 -70.43 -5.93 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 54.140000000000001 110.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 67.9 m-20 -124.56 -0.01 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 109.307 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 25.2 m-85 -122.9 -176.19 3.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 71.209999999999994 110.971 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.436 HG22 HE21 ' A' ' 999' ' ' GLN . 10.6 t -140.92 157.93 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.520000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.41 122.51 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 75.430000000000007 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.1 t -114.66 120.03 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.439999999999998 109.312 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 903' ' ' ILE . 30.7 m-85 -82.61 134.64 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 71.040000000000006 111.042 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -85.98 -46.01 10.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 52.009999999999998 109.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.668 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.66 -55.73 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 71.129999999999995 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 996' ' ' THR . 2.9 t-20 -123.98 132.77 53.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 72.329999999999998 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 2.2 t -58.49 84.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 70.329999999999998 109.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.689 HG22 ' HZ2' ' A' ' 998' ' ' LYS . 2.1 m -148.15 161.03 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 71.340000000000003 110.445 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 990' ' ' VAL . 3.0 ttpp -133.91 115.13 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 53.439999999999998 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.689 ' HZ2' HG22 ' A' ' 996' ' ' THR . 4.3 mptt -104.62 129.04 52.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . 0.436 HE21 HG22 ' A' ' 988' ' ' VAL . 13.5 tt0 -107.87 108.25 19.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 71.439999999999998 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.469 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.6 m-85 -101.26 -171.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.555 ' CA ' HG22 ' A' ' 984' ' ' ILE . 47.3 pttt -129.7 -45.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 72.519999999999996 109.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.593 ' HB3' HG12 ' A' 1004 ' ' VAL . 17.5 mmtp -117.41 149.65 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.298 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 42.7 m95 -63.89 -38.98 93.11 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.008 -1.108 . . . . 75.310000000000002 108.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.593 HG12 ' HB3' ' A' 1002 ' ' LYS . 0.6 OUTLIER -48.03 -25.86 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.25 109.278 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.81 -40.08 79.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 62.130000000000003 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.794 HD23 ' CZ ' ' A' 1010 ' ' PHE . 7.2 tp -50.49 107.08 0.73 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.230000000000004 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.453 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.01 1.04 8.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.42 1.747 . . . . 73.340000000000003 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.36 135.62 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 54.439999999999998 109.276 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.0 t -69.82 144.76 52.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.109999999999999 110.411 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.794 ' CZ ' HD23 ' A' 1006 ' ' LEU . 5.4 m-85 -124.82 165.83 23.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 62.119999999999997 111.03 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . 0.42 ' O ' ' ND2' ' A' 1012 ' ' ASN . 18.2 Cg_endo -74.97 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 71.25 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' 1011 ' ' PRO . 0.8 OUTLIER -149.14 108.69 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 63.100000000000001 109.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -118.62 118.4 31.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 73.409999999999997 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.417 ' O ' HD22 ' A' 1013 ' ' LEU . 1.7 m-20 -90.66 -177.34 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.335 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.555 ' CE2' HD13 ' A' ' 923' ' ' ILE . 11.3 m-85 -88.78 -56.54 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 71.040000000000006 110.969 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.3 t -39.4 -30.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 110.002 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' 1015 ' ' TYR . 17.9 mm-40 -41.37 -48.7 3.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 73.219999999999999 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 4.0 m -96.9 155.84 16.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 74.150000000000006 108.301 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 34.4 t -129.77 22.06 5.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 63.240000000000002 108.342 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' 1020 ' ' LEU . 2.7 mt -55.05 -36.14 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 61.329999999999998 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 15.6 m-85 -38.27 -29.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' 1020 ' ' LEU . 6.6 t -46.9 105.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 53.420000000000002 110.031 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.5 22.25 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 70.099999999999994 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.85 170.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 72.299999999999997 110.311 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 13.7 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 72.329999999999998 109.315 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.031 -0.827 . . . . 72.319999999999993 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.732 ' C ' HD12 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.95 174.6 12.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.454 1.765 . . . . 74.310000000000002 111.063 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.732 HD12 ' C ' ' A' ' 892' ' ' PRO . 5.5 mp -156.76 173.54 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 71.219999999999999 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 162.3 135.09 1.75 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 110.966 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.9 p -126.1 -74.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.120000000000005 109.971 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -40.5 161.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 74.510000000000005 111.035 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 897' ' ' LYS . 1.5 ttmp? -175.64 159.14 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.8 t-20 74.17 27.46 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 109.272 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -119.58 126.0 27.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 64.099999999999994 109.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.496 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 42.409999999999997 110.968 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.4 t -83.69 -26.02 30.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 62.200000000000003 109.992 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.647 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.66 -24.98 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.219999999999999 109.318 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -100.11 152.54 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.150000000000006 109.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -144.36 159.79 42.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 110.447 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.68 139.06 36.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 61.030000000000001 111.028 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -133.83 177.26 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 54.409999999999997 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.447 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.4 t -91.93 122.47 34.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.971 -1.013 . . . . 73.319999999999993 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -53.82 -57.41 11.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.149999999999999 109.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -47.82 -57.83 5.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 33.229999999999997 109.259 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.587 ' O ' ' CB ' ' A' ' 911' ' ' SER . 72.5 m -99.3 -100.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.549999999999997 108.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.9 OUTLIER 152.98 42.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 52.310000000000002 109.978 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.49 134.58 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 52.039999999999999 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.23 106.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 72.239999999999995 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.409 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.29 -35.08 18.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 55.439999999999998 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 1.002 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.1 m -178.74 160.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 71.120000000000005 108.332 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.665 ' CB ' HG23 ' A' ' 904' ' ' THR . 5.3 t -105.67 162.19 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.120000000000005 110.007 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -57.73 -45.97 92.79 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 111.047 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.41 -17.41 62.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 73.209999999999994 110.356 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -105.34 28.77 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 72.409999999999997 109.299 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.0 mm -133.07 156.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 63.539999999999999 109.311 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.926 ' CE1' HD12 ' A' 1013 ' ' LEU . 29.2 m80 -119.75 172.08 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 73.400000000000006 109.605 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.439 HG22 ' CE1' ' A' ' 928' ' ' HIS . 3.6 t -128.86 155.55 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.209999999999994 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.642 HD12 ' CE2' ' A' 1015 ' ' TYR . 6.5 mm -131.82 112.72 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 71.030000000000001 109.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 53.33 24.29 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 65.030000000000001 110.257 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 49.15 27.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 71.439999999999998 109.325 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.455 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.2 ptp -125.39 -40.24 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.219999999999999 111.011 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.455 ' N ' ' CG ' ' A' ' 926' ' ' MET . 18.4 m170 -117.67 136.17 53.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 73.200000000000003 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.439 ' CE1' HG22 ' A' ' 922' ' ' VAL . 5.0 m80 -104.53 107.57 18.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 72.340000000000003 109.599 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.1 m -102.29 130.01 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 65.239999999999995 109.266 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -94.44 95.8 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 75.230000000000004 109.282 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . 0.537 ' SD ' HD13 ' A' 1013 ' ' LEU . 14.2 mtp -83.92 47.16 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 61.020000000000003 111.015 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 1.002 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 124.12 36.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 64.439999999999998 110.433 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.6 Cg_endo -74.94 -44.84 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 71.420000000000002 111.036 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.54 ' HG3' HG22 ' A' ' 932' ' ' THR . 0.0 OUTLIER -56.14 -33.85 65.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 62.439999999999998 110.306 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 938' ' ' LEU . 87.2 t80 -62.43 -20.64 64.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 110.938 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.1 ptpt -63.95 -17.78 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.04 5.09 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 65.420000000000002 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.5 mt -111.15 -10.25 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 62.020000000000003 109.27 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.72 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -130.16 151.02 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 73.209999999999994 111.041 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.781 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.33 140.01 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 73.109999999999999 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.72 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.14 124.0 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 75.219999999999999 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.704 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -101.34 123.08 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 71.319999999999993 110.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -46.55 104.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 110.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.504 HD21 ' N ' ' A' ' 947' ' ' LEU . 1.5 t30 -156.9 116.43 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 -8.53 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.329999999999998 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.495 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.82 -13.95 39.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.209999999999994 109.321 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.504 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.5 mm? -104.41 -57.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -77.11 146.8 36.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 64.209999999999994 110.287 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.593 ' N ' HE21 ' A' ' 948' ' ' GLN . 9.0 mtpm? -137.47 -179.04 5.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 74.099999999999994 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 952' ' ' ALA . 27.0 mttt -102.89 -77.82 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 65.230000000000004 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.36 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 71.349999999999994 108.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -177.71 -177.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 73.109999999999999 109.278 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.82 -26.37 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 75.239999999999995 109.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -111.7 95.94 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 111.018 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 973' ' ' VAL . 29.5 tp60 -66.89 136.0 54.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 65.209999999999994 110.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.93 158.05 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 73.239999999999995 109.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.56 -25.51 13.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.17 -141.4 7.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 33.119999999999997 111.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.36 135.36 55.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.8 . . . . 54.509999999999998 110.297 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.463 HG22 ' CE1' ' A' ' 939' ' ' TYR . 5.3 pt -93.75 128.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 40.25 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.707 HG22 ' HA ' ' A' ' 967' ' ' ALA . 19.4 pt -130.95 140.08 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 73.239999999999995 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -57.67 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 63.409999999999997 108.268 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.781 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 7.6 mmmt -62.28 -49.68 74.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 61.420000000000002 109.347 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -58.12 -32.26 67.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.299999999999997 108.297 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.44 42.4 1.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 110.978 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.3 tp60 -101.71 118.21 36.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 71.439999999999998 110.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.707 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.6 93.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.209999999999994 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.695 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.9 m0 -68.8 -34.8 76.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.400000000000006 107.948 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 170.39 -122.77 1.0 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 73.540000000000006 111.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.72 151.51 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 75.25 110.362 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.543 ' O ' HG23 ' A' ' 956' ' ' ILE . 19.1 tpp -95.38 92.53 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 61.350000000000001 111.024 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.82 151.94 27.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.25 111.024 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.8 t -125.57 150.15 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 64.099999999999994 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.759 ' CD2' ' CE1' ' A' 1015 ' ' TYR . 2.3 t-80 -142.34 103.45 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 70.430000000000007 109.567 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 15.4 mttp 62.51 23.2 13.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 52.009999999999998 109.29 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.58 0.66 57.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 25.109999999999999 111.027 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.832 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.24 162.35 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 53.439999999999998 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.832 ' H ' HD13 ' A' ' 977' ' ' LEU . 2.6 p30 -110.63 116.02 30.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 61.109999999999999 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.2 OUTLIER -135.84 96.17 13.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.019999999999996 109.339 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.436 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.95 116.47 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 62.399999999999999 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.19 104.53 16.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 52.25 108.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -86.42 166.87 15.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 53.520000000000003 109.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.411 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 18.1 mttt -128.67 122.39 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 45.25 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.8 mt -58.68 -18.55 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.129999999999995 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -6.34 43.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 75.150000000000006 110.372 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.5 m-20 -124.57 -0.85 8.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 109.362 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.5 m-85 -121.86 -176.28 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 63.310000000000002 111.048 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 19.7 t -137.38 160.97 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 109.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.04 116.93 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 75.219999999999999 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.7 t -113.88 124.26 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.120000000000005 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -82.41 137.46 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 70.040000000000006 111.01 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 902' ' ' LEU . 26.8 ttpp -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 109.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.647 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.79 -54.17 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 64.219999999999999 109.324 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -135.73 154.82 51.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 71.409999999999997 109.302 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 19.6 t -67.14 93.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 74.409999999999997 110.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 2.5 m -152.54 155.36 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 54.229999999999997 110.427 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 990' ' ' VAL . 6.2 ttpt -133.53 112.65 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 61.140000000000001 109.272 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.04 129.78 54.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 63.420000000000002 109.312 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -107.07 110.9 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 64.319999999999993 110.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.471 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.0 m-85 -102.79 -171.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.230000000000004 110.999 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.1 pttm -126.1 -48.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.726 ' HB3' HG12 ' A' 1004 ' ' VAL . 19.3 mttm -120.33 158.6 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 73.409999999999997 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.649 ' HA ' HD12 ' A' ' 984' ' ' ILE . 21.7 m95 -70.17 -24.45 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.349999999999994 107.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.726 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -61.19 -21.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 65.530000000000001 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -77.99 -26.57 48.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 74.099999999999994 110.331 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.44 112.36 5.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.25 109.377 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -74.99 -5.65 17.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 74.450000000000003 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.28 133.75 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 73.219999999999999 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.3 t -69.99 151.83 45.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.439999999999998 110.421 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.843 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.8 m-85 -129.2 163.09 48.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 71.299999999999997 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . 0.417 ' O ' ' ND2' ' A' 1012 ' ' ASN . 18.5 Cg_endo -74.93 -163.24 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 73.340000000000003 111.019 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' 1011 ' ' PRO . 1.6 m120 -149.08 103.47 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 75.400000000000006 109.283 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.926 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.14 122.34 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 74.129999999999995 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 2.5 m-20 -115.47 110.09 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.334 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.759 ' CE1' ' CD2' ' A' ' 974' ' ' HIS . 1.2 p90 -36.56 -45.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 111.062 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 8.3 t -39.23 -50.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 74.099999999999994 109.986 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -38.8 -51.44 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 70.209999999999994 110.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.7 m -97.37 88.17 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 63.43 108.258 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.407 ' C ' HD13 ' A' 1020 ' ' LEU . 3.6 m -114.77 46.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 61.439999999999998 108.25 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' 1020 ' ' LEU . 0.0 OUTLIER -82.25 -59.32 2.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 63.210000000000001 109.316 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -49.89 -22.45 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 72.099999999999994 111.0 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 30.2 t -39.49 108.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 62.109999999999999 110.013 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.95 21.84 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.200000000000003 109.301 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -79.34 174.48 11.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 70.109999999999999 110.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.400000000000006 109.302 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.021 -0.832 . . . . 63.25 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.837 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.4 Cg_endo -74.98 167.49 26.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 74.129999999999995 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.837 HD22 ' C ' ' A' ' 892' ' ' PRO . 3.3 mm? -144.23 -176.54 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 70.049999999999997 109.266 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 144.36 134.99 2.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 64.530000000000001 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.7 p -123.28 -75.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 44.009999999999998 110.002 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -121.79 174.29 6.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 74.329999999999998 111.014 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -159.64 176.23 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 74.040000000000006 109.292 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' 1007 ' ' PRO . 7.7 t-20 73.46 24.46 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 45.299999999999997 109.274 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -123.15 131.15 24.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.409999999999997 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -74.97 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 61.119999999999997 111.021 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -85.72 -24.08 27.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.035 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.864 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -91.41 -23.09 20.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 70.129999999999995 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.618 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -101.21 159.57 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 75.040000000000006 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.55 162.29 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 71.430000000000007 110.364 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 920' ' ' ILE . 8.3 m-30 -103.33 137.54 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 111.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.568 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -131.04 177.24 7.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 65.129999999999995 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 50.4 t -92.07 120.35 32.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.023 -0.99 . . . . 53.200000000000003 110.914 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -50.7 -59.62 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 70.140000000000001 109.28 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -46.3 -59.66 2.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 911' ' ' SER . 79.0 m -97.17 -102.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 60.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.0 OUTLIER 155.93 40.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.349999999999994 109.969 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -92.81 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 74.310000000000002 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.39 106.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 71.340000000000003 109.288 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.414 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.39 -35.3 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.439999999999998 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 920' ' ' ILE . 1.6 p -177.69 162.38 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 108.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.689 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.43 155.29 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 65.150000000000006 109.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.12 -52.22 23.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 55.210000000000001 111.029 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.429 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.5 pp20? -55.26 -30.78 60.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 74.239999999999995 110.289 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.91 29.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.299999999999997 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.779 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.4 mm -133.47 149.61 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 70.040000000000006 109.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.698 ' CG ' HD12 ' A' 1013 ' ' LEU . 27.3 m80 -114.99 170.0 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 63.210000000000001 109.574 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 2.8 t -129.15 147.94 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.312 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' 1015 ' ' TYR . 4.6 mm -124.87 111.81 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 63.109999999999999 109.337 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.17 21.4 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 72.120000000000005 110.26 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.427 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 50.72 23.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.219999999999999 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.404 ' HG3' ' N ' ' A' ' 927' ' ' HIS . 5.2 ptp -117.81 -33.92 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 72.420000000000002 110.99 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 926' ' ' MET . 24.5 m80 -128.28 135.87 50.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 74.349999999999994 109.579 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -101.83 107.69 18.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 71.329999999999998 109.577 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.38 128.7 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.25 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.779 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.7 t30 -97.39 96.92 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 52.039999999999999 109.262 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.2 mtt -82.52 47.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 73.129999999999995 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.463 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.5 OUTLIER -105.36 123.98 37.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.120000000000005 110.394 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 40.32 111.021 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.463 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.0 pt-20 -56.47 -31.58 64.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 52.240000000000002 110.306 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 85.5 t80 -63.29 -21.72 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 65.450000000000003 110.958 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.5 ptpt -64.83 -15.99 62.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.19 6.09 32.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 63.030000000000001 110.302 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.592 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 10.9 mt -114.24 -10.28 12.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 64.200000000000003 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.703 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.1 OUTLIER -130.44 151.13 51.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 72.239999999999995 111.023 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.783 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -127.82 139.51 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.340000000000003 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.703 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -100.31 131.08 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 61.210000000000001 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.719 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.1 OUTLIER -105.75 122.3 45.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 72.540000000000006 110.346 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -49.42 104.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 72.430000000000007 110.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.504 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.7 t30 -157.46 130.53 7.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.319999999999993 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -96.67 -8.24 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 72.439999999999998 109.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.504 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.98 -13.51 35.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 61.130000000000003 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.7 mm? -102.58 -75.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 75.019999999999996 109.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.536 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -57.62 161.32 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 63.049999999999997 110.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 0.5 OUTLIER -151.24 102.02 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 61.039999999999999 109.312 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -40.18 -66.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 71.340000000000003 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 22.6 m -56.65 93.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 63.149999999999999 108.294 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 177.35 -173.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.88 -32.64 8.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 61.229999999999997 109.276 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -107.18 93.53 4.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 71.010000000000005 110.998 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 973' ' ' VAL . 31.4 tp60 -67.51 130.56 43.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 72.019999999999996 110.293 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.536 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.3 mm -111.0 157.86 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 109.331 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . 0.427 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 0.8 OUTLIER -96.53 -25.72 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.56 -137.54 5.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 75.430000000000007 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -121.61 122.43 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 71.140000000000001 110.254 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.441 HG22 ' CE1' ' A' ' 939' ' ' TYR . 4.8 pt -80.69 134.21 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 40.340000000000003 109.294 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.719 HD11 ' HD3' ' A' ' 942' ' ' ARG . 21.1 pt -134.3 139.92 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.329999999999998 109.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.2 p -58.63 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.100000000000001 108.298 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.783 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 8.5 mmmt -63.29 -49.38 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 73.200000000000003 109.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.1 m -57.93 -31.76 67.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 70.129999999999995 108.258 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 110.05 41.99 1.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 111.005 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.425 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.7 tp60 -102.85 117.96 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 71.310000000000002 110.283 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.686 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.05 94.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.519999999999996 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.657 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.0 m0 -68.83 -32.29 71.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 70.439999999999998 108.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' THR . . . 168.09 -114.86 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 63.310000000000002 111.046 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -157.06 156.95 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 71.420000000000002 110.399 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.3 tpp -100.26 95.33 6.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . 0.447 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 34.8 mtp -81.99 147.66 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 62.329999999999998 111.029 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -125.76 143.51 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 72.219999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.623 ' CE1' ' CZ ' ' A' 1021 ' ' PHE . 2.0 t-80 -132.56 104.74 6.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 63.310000000000002 109.585 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 0.0 OUTLIER 61.7 15.42 6.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 71.129999999999995 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.86 4.42 33.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 25.02 111.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.894 ' O ' HG13 ' A' ' 973' ' ' VAL . 10.8 tp -79.32 166.31 22.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 54.030000000000001 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.34 112.33 22.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 70.409999999999997 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.524 HD22 ' OH ' ' A' 1015 ' ' TYR . 0.2 OUTLIER -135.69 96.38 13.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 109.338 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.457 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.98 116.49 4.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 75.549999999999997 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.09 106.47 18.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 108.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 987' ' ' PHE . 0.9 OUTLIER -87.86 169.73 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 54.539999999999999 109.284 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.425 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 6.1 mttm -131.26 122.9 27.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 73.120000000000005 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.0 mt -58.79 -18.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 71.400000000000006 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -72.67 -5.73 39.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 72.200000000000003 110.293 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 72.9 m-20 -125.46 -0.19 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 70.5 109.305 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.657 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 29.3 m-85 -122.37 -176.28 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 111.008 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.468 HG22 HE21 ' A' ' 999' ' ' GLN . 12.7 t -139.92 162.77 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 75.140000000000001 109.316 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.56 123.63 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.219999999999999 109.286 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.765 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -113.69 114.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 903' ' ' ILE . 55.5 m-85 -84.89 118.67 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 71.030000000000001 110.921 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -86.06 -10.65 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 71.420000000000002 109.321 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.864 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.99 -50.28 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 64.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.15 -3.43 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 41.229999999999997 109.27 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 97.9 p 47.88 54.02 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 63.130000000000003 109.977 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 997' ' ' LYS . 18.8 m -157.39 174.32 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 71.299999999999997 110.417 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.765 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.3 ttpp -134.1 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 71.510000000000005 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -108.03 157.59 18.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . 0.468 HE21 HG22 ' A' ' 988' ' ' VAL . 8.9 tt0 -123.99 107.92 11.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 64.040000000000006 110.314 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 92.6 m-85 -98.79 -171.62 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.200000000000003 111.017 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.53 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.3 pttt -127.03 -47.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 75.200000000000003 109.244 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.497 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 74.129999999999995 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.758 ' HA ' HD12 ' A' ' 984' ' ' ILE . 29.7 m95 -67.53 -26.32 66.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 70.409999999999997 108.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.497 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -61.67 -31.8 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 63.32 109.266 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.26 -22.84 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.845 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.7 tp -62.34 112.43 6.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 63.399999999999999 109.294 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.456 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 62.210000000000001 111.013 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.46 134.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.329999999999998 109.255 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -71.17 146.36 49.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 62.200000000000003 110.387 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.845 ' CE1' HD23 ' A' 1006 ' ' LEU . 6.2 m-85 -124.83 165.21 26.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.299999999999997 111.011 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 50.229999999999997 110.993 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -149.24 105.39 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 54.240000000000002 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.698 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.6 123.21 45.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 54.520000000000003 109.294 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 17.7 t0 -110.04 173.3 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 73.310000000000002 109.287 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.524 ' OH ' HD22 ' A' ' 979' ' ' LEU . 19.7 m-30 -89.18 -41.76 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.150000000000006 111.012 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 4.3 t -41.42 -28.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.040000000000006 110.019 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.48 -48.43 80.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 71.140000000000001 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.9 m -90.27 138.27 31.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 75.510000000000005 108.251 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 57.4 m -130.93 35.19 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 60.229999999999997 108.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.67 HD23 ' N ' ' A' 1020 ' ' LEU . 2.5 mt -67.29 -37.55 83.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 64.129999999999995 109.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.623 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 64.1 m-85 -38.37 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1020 ' ' LEU . 7.4 t -59.27 102.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 54.149999999999999 109.979 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.87 -33.95 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 75.010000000000005 109.342 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.68 159.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 110.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 70.140000000000001 109.307 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . 0.448 ' N ' ' CD ' ' A' ' 892' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 53.229999999999997 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 891' ' ' GLY . 18.4 Cg_endo -75.02 -14.34 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 63.009999999999998 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.92 139.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 109.31 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 137.9 126.23 2.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 51.130000000000003 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 39.3 t -118.69 -75.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 64.519999999999996 110.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -97.95 -61.96 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 54.049999999999997 110.978 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.515 ' O ' HD11 ' A' 1008 ' ' ILE . 21.6 ttpp 64.95 40.54 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 72.329999999999998 109.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' 1007 ' ' PRO . 29.0 t-20 -119.99 19.69 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 63.450000000000003 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -102.28 125.92 34.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 75.519999999999996 109.309 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.1 Cg_endo -75.05 0.31 9.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.482 1.78 . . . . 74.25 110.968 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.9 -19.82 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 62.350000000000001 110.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.987 HD22 ' ND2' ' A' ' 993' ' ' ASN . 1.4 mt -92.62 -23.71 18.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 74.299999999999997 109.276 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.621 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.3 OUTLIER -101.26 151.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 64.120000000000005 109.314 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.846 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -141.41 159.74 41.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 61.439999999999998 110.443 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 917' ' ' GLY . 8.4 m-30 -100.99 139.58 36.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 63.130000000000003 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.567 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.6 OUTLIER -133.87 176.01 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 54.5 109.329 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -91.08 122.85 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.009 -0.996 . . . . 73.109999999999999 110.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -52.83 -61.44 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 71.109999999999999 109.267 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -44.62 -57.47 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.26 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.3 m -100.04 -101.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 54.210000000000001 108.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.563 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.0 t 154.69 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 71.010000000000005 109.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.03 133.06 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 74.219999999999999 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.846 HD21 HG22 ' A' ' 904' ' ' THR . 1.0 OUTLIER -61.5 106.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 24.300000000000001 109.283 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.85 -36.18 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.67 166.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 72.549999999999997 108.288 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.482 ' HB3' HG23 ' A' ' 904' ' ' THR . 0.1 OUTLIER -97.65 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 53.030000000000001 110.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -65.48 -29.73 75.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 111.016 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.432 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.3 pp20? -83.37 -17.26 42.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 73.099999999999994 110.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 19.22 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 54.520000000000003 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -118.09 157.35 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 54.409999999999997 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.841 ' ND1' HD12 ' A' 1013 ' ' LEU . 10.5 m170 -117.85 157.17 27.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 64.340000000000003 109.598 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.4 t -121.66 152.32 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 71.349999999999994 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.498 HD11 ' CE1' ' A' 1015 ' ' TYR . 3.7 mm -127.05 114.66 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 71.439999999999998 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 926' ' ' MET . 93.7 mt-10 49.59 30.06 3.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 75.120000000000005 110.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.2 mptt 40.92 29.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 73.540000000000006 109.263 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.444 ' N ' ' C ' ' A' ' 924' ' ' GLU . 24.8 ptm -123.07 -39.25 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 64.239999999999995 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.438 ' N ' ' CG ' ' A' ' 926' ' ' MET . 35.4 m170 -122.35 114.65 21.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 50.450000000000003 109.582 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -91.63 108.39 19.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 109.581 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.73 146.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 62.509999999999998 109.294 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -97.0 95.59 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 75.010000000000005 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 28.9 mtt -85.19 47.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 53.409999999999997 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.792 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.15 124.19 36.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 63.310000000000002 110.452 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.492 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.5 Cg_endo -74.95 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 64.5 111.043 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.6 pt-20 -59.18 -28.65 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.230000000000004 110.33 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.69 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.8 t80 -68.03 -19.47 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 110.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -66.57 -16.26 64.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 54.130000000000003 109.329 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.24 4.34 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 72.420000000000002 110.267 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 935' ' ' PHE . 17.9 mt -107.9 -18.88 13.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 71.420000000000002 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.7 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -121.16 152.11 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.430000000000007 111.038 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -128.07 136.36 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.310000000000002 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.7 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -97.4 134.0 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.561 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -109.08 121.45 45.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 74.510000000000005 110.288 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -48.15 104.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -154.31 130.33 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 64.310000000000002 109.315 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -96.55 -8.07 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 73.439999999999998 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.21 -13.42 37.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 63.439999999999998 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.8 mm? -103.61 -76.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 74.409999999999997 109.279 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.522 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -58.6 161.01 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 75.530000000000001 110.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 21.7 mttt -143.84 178.02 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.109999999999999 109.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 952' ' ' ALA . 49.4 mttt -101.28 -77.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 55.340000000000003 109.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 7.4 p -53.6 94.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 75.340000000000003 108.293 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.47 179.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 109.256 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -110.33 -25.39 10.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -109.16 93.48 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 65.5 111.022 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 973' ' ' VAL . 10.4 tm0? -67.43 136.32 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 55.109999999999999 110.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -115.26 156.93 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 65.129999999999995 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -96.42 -26.82 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.209999999999994 109.306 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 155.01 -137.21 5.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 42.229999999999997 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.26 126.69 47.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 74.239999999999995 110.332 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.403 HG22 HG23 ' A' ' 941' ' ' VAL . 10.6 pt -83.97 137.17 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 65.299999999999997 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 967' ' ' ALA . 28.0 pt -138.58 143.7 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 74.209999999999994 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -62.88 -174.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 65.319999999999993 108.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -60.69 -51.12 70.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 75.420000000000002 109.273 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.0 m -55.99 -36.65 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 71.299999999999997 108.335 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 115.11 38.3 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 52.219999999999999 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 31.7 tp60 -97.84 118.05 33.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 61.219999999999999 110.306 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.768 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.69 97.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 64.340000000000003 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.2 m0 -71.15 -30.58 66.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 72.329999999999998 108.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.75 -120.1 0.92 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 110.991 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -152.36 161.93 41.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 70.239999999999995 110.421 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.1 tpp -109.02 98.45 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.0 mtp -82.1 150.14 27.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 72.329999999999998 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 977' ' ' LEU . 4.1 t -126.68 144.13 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 63.549999999999997 109.323 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.458 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.2 t-80 -133.21 98.16 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.430000000000007 109.631 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.458 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 10.8 mtmt 60.86 21.76 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 109.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 106.46 6.64 35.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 43.439999999999998 111.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.801 ' O ' HG13 ' A' ' 973' ' ' VAL . 13.3 tp -79.59 166.37 21.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 71.019999999999996 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -121.83 110.93 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 70.329999999999998 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.481 ' CD2' ' OH ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -135.01 96.65 14.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 73.319999999999993 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.511 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.546 1.814 . . . . 54.549999999999997 110.996 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.84 105.36 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 53.439999999999998 108.312 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.69 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -87.21 168.95 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 62.130000000000003 109.303 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 13.4 mttt -128.61 122.82 31.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -60.44 -17.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 72.430000000000007 109.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.92 -11.62 60.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 63.219999999999999 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.9 m-20 -118.15 -4.59 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.140000000000001 109.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.638 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.6 m-85 -116.4 -177.58 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 73.420000000000002 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.417 HG22 ' NE2' ' A' ' 999' ' ' GLN . 11.4 t -138.02 162.02 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.140000000000001 109.291 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.446 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.84 122.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 109.269 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.3 t -113.85 120.66 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 61.009999999999998 109.282 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.621 ' CD1' HG22 ' A' ' 903' ' ' ILE . 57.4 m-85 -91.69 118.64 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 75.239999999999995 111.042 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -85.97 -18.58 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.519999999999996 109.28 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.987 ' ND2' HD22 ' A' ' 902' ' ' LEU . 1.1 m-80 -100.12 -2.17 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 70.310000000000002 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 991' ' ' PHE . 30.6 t30 -123.0 0.39 9.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 72.340000000000003 109.286 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 994' ' ' ASN . 94.0 p 39.15 56.89 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 64.549999999999997 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 997' ' ' LYS . 29.6 m -157.26 171.6 20.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 65.230000000000004 110.402 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.59 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.4 ttmt -133.88 115.26 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 65.209999999999994 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.28 171.46 7.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 72.450000000000003 109.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 988' ' ' VAL . 12.3 tt0 -140.51 106.0 5.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 73.109999999999999 110.244 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.487 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 65.0 m-85 -93.73 -170.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 72.519999999999996 111.02 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.519 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.5 pttt -126.66 -48.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.239999999999995 109.336 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.704 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttp -119.15 157.26 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 74.109999999999999 109.35 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.707 ' HA ' HD12 ' A' ' 984' ' ' ILE . 34.9 m95 -68.5 -24.65 64.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 75.120000000000005 108.004 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.704 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.0 p -64.1 -31.53 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.140000000000001 109.303 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.67 -18.88 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 71.049999999999997 110.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.647 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.07 113.74 21.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 73.230000000000004 109.283 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.479 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.97 -0.54 10.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 73.120000000000005 111.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.515 HD11 ' O ' ' A' ' 897' ' ' LYS . 0.8 OUTLIER -87.21 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.329999999999998 109.305 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -83.13 135.23 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.394 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.647 ' CE1' HD23 ' A' 1006 ' ' LEU . 5.1 m-85 -106.65 165.03 13.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 71.329999999999998 111.024 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -163.77 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 64.299999999999997 110.979 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.7 111.3 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 63.240000000000002 109.34 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.841 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -121.67 119.53 32.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 64.209999999999994 109.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.48 170.96 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 64.239999999999995 109.345 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.498 ' CE1' HD11 ' A' ' 923' ' ' ILE . 21.4 m-85 -89.27 -40.62 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 75.239999999999995 111.03 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 2.3 t -41.51 -33.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 63.299999999999997 110.049 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -44.9 -52.17 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 63.439999999999998 110.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 27.6 m -96.79 129.91 44.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 108.289 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 1.8 m -125.79 24.08 7.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 73.549999999999997 108.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' 1020 ' ' LEU . 1.1 mt -63.16 -41.8 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 62.240000000000002 109.315 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.31 -29.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 71.209999999999994 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' 1020 ' ' LEU . 6.5 t -51.58 104.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 43.6 t0 -110.18 -15.57 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 75.230000000000004 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -46.66 170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 62.229999999999997 110.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 43.409999999999997 109.289 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . 0.524 ' O ' HD12 ' A' ' 893' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 45.530000000000001 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.711 ' C ' HD12 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -74.99 150.14 37.75 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.441 1.759 . . . . 74.450000000000003 111.038 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.711 HD12 ' C ' ' A' ' 892' ' ' PRO . 5.7 mp -154.01 165.46 36.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 63.340000000000003 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 173.45 110.75 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 63.049999999999997 110.98 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 17.7 m -175.02 168.68 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 74.340000000000003 110.022 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -80.16 168.41 19.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 64.109999999999999 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.457 ' O ' HD11 ' A' 1008 ' ' ILE . 8.5 mtmm -133.98 22.18 3.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.3 t-20 -91.26 19.22 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 75.25 109.329 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -107.61 125.84 31.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.01 0.71 8.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 51.420000000000002 110.958 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 17.8 t -84.1 -26.32 29.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 73.010000000000005 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.859 HD22 HD21 ' A' ' 993' ' ' ASN . 0.6 OUTLIER -89.14 -24.04 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.357 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.561 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.79 158.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 71.420000000000002 109.317 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.848 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.94 159.56 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 63.340000000000003 110.42 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.73 139.86 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 72.099999999999994 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.95 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 74.409999999999997 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.2 t -90.73 122.1 33.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.995 -1.002 . . . . 54.43 110.913 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -52.82 -60.57 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 75.319999999999993 109.36 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -44.95 -57.77 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -99.96 -100.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 71.140000000000001 108.318 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.9 p 153.82 42.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 52.530000000000001 110.031 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.58 131.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 71.049999999999997 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -60.23 106.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 75.030000000000001 109.272 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -85.56 -35.76 20.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 42.329999999999998 109.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -177.68 168.24 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 53.240000000000002 108.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.415 ' OG ' HG23 ' A' ' 904' ' ' THR . 5.9 m -106.77 156.67 18.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.25 109.996 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.09 -48.5 62.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 61.420000000000002 111.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.8 pp20? -63.19 -25.86 68.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 73.299999999999997 110.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.63 32.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 73.329999999999998 109.32 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.837 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.3 mm -133.6 147.69 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 1.034 ' CD2' HD12 ' A' 1013 ' ' LEU . 58.0 m80 -111.45 156.25 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.642 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.425 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.1 t -124.71 157.31 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 52.43 109.273 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.97 114.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 53.229999999999997 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.66 26.24 4.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 74.340000000000003 110.276 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.425 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 47.91 30.97 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 73.209999999999994 109.319 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.496 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 9.5 ptp -133.08 -42.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.439999999999998 110.964 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.496 ' N ' ' CG ' ' A' ' 926' ' ' MET . 70.2 m-70 -101.84 121.73 42.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 64.420000000000002 109.625 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.518 ' CE1' ' CD1' ' A' 1003 ' ' TRP . 11.1 p-80 -99.17 102.35 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 109.615 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.47 135.47 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 53.25 109.344 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.837 ' OD1' HD13 ' A' ' 920' ' ' ILE . 63.9 t30 -101.93 95.94 6.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 62.420000000000002 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.9 mtt -83.99 46.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.725 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.7 OUTLIER -103.24 124.12 39.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 75.420000000000002 110.385 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 74.409999999999997 111.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 7.7 pt-20 -60.96 -23.42 65.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 110.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.725 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 66.8 t80 -73.44 -22.53 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.430000000000007 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.0 ptpt -65.04 -14.35 60.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 71.040000000000006 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.64 2.79 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 72.450000000000003 110.361 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 935' ' ' PHE . 10.0 mt -108.85 -22.63 12.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 73.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -116.47 151.2 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 111.014 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.8 mt -130.14 136.47 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 52.25 109.313 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.761 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -93.69 133.22 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.129999999999995 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.612 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.7 OUTLIER -114.9 122.13 45.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.450000000000003 110.275 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -47.14 104.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 60.310000000000002 110.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 2.2 t30 -153.29 121.67 6.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.329999999999998 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -89.94 -8.76 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 64.109999999999999 109.321 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.538 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.55 -13.91 36.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 73.329999999999998 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.508 ' N ' HD21 ' A' ' 944' ' ' ASN . 2.0 mm? -108.57 -75.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 75.230000000000004 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.459 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -54.58 165.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 73.409999999999997 110.296 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 12.7 mtmt -151.03 -172.37 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 65.219999999999999 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -99.62 69.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 109.322 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 955' ' ' GLN . 87.1 m -108.32 177.75 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 34.149999999999999 108.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -128.0 -44.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 54.009999999999998 109.283 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.67 -50.26 66.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 65.209999999999994 109.306 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -136.26 87.99 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 74.329999999999998 111.049 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.9 tp60 -73.66 136.33 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 52.140000000000001 110.257 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -115.29 158.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 75.25 109.32 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -107.3 -24.06 12.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.325 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.19 -137.82 5.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 72.5 111.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . 0.478 ' CG ' ' HG ' ' A' ' 947' ' ' LEU . 12.9 tt0 -128.63 132.37 48.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 64.239999999999995 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.408 HG22 ' CE1' ' A' ' 939' ' ' TYR . 11.3 pt -87.1 136.25 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.409999999999997 109.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.8 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.0 pt -137.16 145.04 30.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 73.019999999999996 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -64.4 -174.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 63.109999999999999 108.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -61.97 -50.96 70.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 60.420000000000002 109.276 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 12.8 m -56.16 -34.46 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 62.140000000000001 108.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.18 41.08 1.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 53.399999999999999 110.967 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 968' ' ' TRP . 30.1 tp60 -99.94 118.85 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 73.519999999999996 110.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.8 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.09 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 74.319999999999993 109.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.3 m0 -66.43 -36.45 82.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.319999999999993 108.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.71 -128.72 1.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 62.450000000000003 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.24 151.24 40.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 54.399999999999999 110.415 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 956' ' ' ILE . 14.8 tpp -94.1 93.98 8.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 72.120000000000005 111.024 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 27.1 mtp -82.17 153.42 26.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 71.409999999999997 110.979 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.5 t -124.8 149.23 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.540000000000006 109.267 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.8 t-80 -140.02 100.97 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp 60.19 24.57 13.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.200000000000003 109.292 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.44 56.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 65.319999999999993 110.96 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.7 OUTLIER -79.38 162.47 25.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 64.099999999999994 109.302 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.795 ' N ' HD13 ' A' ' 977' ' ' LEU . 14.6 m-20 -109.49 115.66 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 53.310000000000002 109.247 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -134.4 96.23 15.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 74.329999999999998 109.316 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 72.209999999999994 111.018 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.66 106.37 18.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 61.329999999999998 108.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.725 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -88.3 166.37 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 62.329999999999998 109.279 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.41 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 19.1 mttt -128.03 124.08 36.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 70.099999999999994 109.289 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.571 HG13 ' CE3' ' A' 1003 ' ' TRP . 1.4 mt -59.34 -19.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 75.420000000000002 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.89 -6.21 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 74.430000000000007 110.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 73.9 m-20 -124.28 -0.83 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 63.030000000000001 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.7 m-85 -122.09 -176.45 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 64.140000000000001 111.012 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.7 t -139.61 162.37 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 73.510000000000005 109.254 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.45 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.6 t -121.07 123.38 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.510000000000005 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.82 115.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 64.109999999999999 109.333 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.561 ' CD1' HG22 ' A' ' 903' ' ' ILE . 38.9 m-85 -85.14 118.72 24.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 72.409999999999997 111.052 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -85.29 -13.68 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 109.257 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.859 HD21 HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.91 -50.94 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 62.210000000000001 109.291 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -70.26 -8.6 51.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 75.209999999999994 109.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 996' ' ' THR . 1.4 m 52.03 52.16 14.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 72.010000000000005 110.014 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 997' ' ' LYS . 23.3 m -157.53 175.7 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 72.25 110.384 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.72 ' HB2' HG22 ' A' ' 990' ' ' VAL . 2.5 ttpp -134.25 117.79 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 54.32 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -109.42 155.53 21.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 74.349999999999994 109.327 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -121.91 105.41 10.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 71.430000000000007 110.271 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.491 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 73.7 m-85 -93.99 -172.49 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 62.329999999999998 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.529 ' CA ' HG22 ' A' ' 984' ' ' ILE . 25.3 pttt -126.31 -49.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 51.509999999999998 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' 1004 ' ' VAL . 11.1 mtpt -115.81 164.17 14.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 71.209999999999994 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 984' ' ' ILE . 52.5 m95 -75.96 -14.12 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 74.319999999999993 108.001 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -76.02 -34.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 63.020000000000003 109.319 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.99 -19.24 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.549999999999997 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.689 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.07 115.44 40.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 74.030000000000001 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.95 0.33 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 73.099999999999994 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -87.14 135.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 73.120000000000005 109.258 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -81.09 129.19 34.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.099999999999994 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.689 ' CE1' HD23 ' A' 1006 ' ' LEU . 21.6 m-85 -100.34 165.65 14.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 61.229999999999997 111.013 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 70.219999999999999 111.024 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -148.56 107.42 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 75.120000000000005 109.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 1.034 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.95 119.3 33.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 71.450000000000003 109.298 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 41.6 t0 -100.27 166.89 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 74.310000000000002 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.15 -39.32 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.420000000000002 111.014 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 11.7 t -45.48 -28.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 70.519999999999996 110.021 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -47.68 -48.5 29.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 63.509999999999998 110.264 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.6 m -97.0 125.96 41.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 72.349999999999994 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.69 ' C ' HD23 ' A' 1020 ' ' LEU . 7.5 m -122.03 60.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 40.439999999999998 108.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' 1020 ' ' LEU . 1.7 mt -99.93 -39.16 8.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 74.219999999999999 109.323 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.63 -6.98 28.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 74.040000000000006 110.974 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.13 46.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.400000000000006 109.993 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -68.97 -27.45 65.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 75.219999999999999 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.38 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 110.257 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 30.9 p30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 75.030000000000001 109.262 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 74.230000000000004 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -14.02 21.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 72.439999999999998 111.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 893' ' ' LEU . 4.6 mt -78.94 140.58 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 71.120000000000005 109.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 159.88 101.49 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 43.219999999999999 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 896' ' ' TYR . 1.2 t -100.79 -60.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 71.219999999999999 110.021 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 895' ' ' SER . 1.7 m-85 -96.48 -179.55 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 110.954 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -117.78 15.67 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 75.310000000000002 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' 1007 ' ' PRO . 10.8 t-20 -92.81 25.41 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 75.25 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -114.74 126.2 28.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 75.340000000000003 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.55 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.219999999999999 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 9.0 t -82.99 -23.9 33.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 64.519999999999996 109.985 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.824 HD22 HD21 ' A' ' 993' ' ' ASN . 0.8 OUTLIER -92.18 -23.65 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 70.040000000000006 109.294 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.619 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -98.78 156.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 74.310000000000002 109.255 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.811 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -143.94 169.47 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.4 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.733 ' O ' HD23 ' A' ' 906' ' ' LEU . 13.2 m-30 -108.41 138.64 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.129999999999995 111.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 905' ' ' PHE . 2.3 mt -133.36 159.15 41.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 63.439999999999998 109.262 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 40.5 t -73.64 130.74 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.952 -1.022 . . . . 73.329999999999998 110.909 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 988' ' ' VAL . 18.7 ttpt -57.97 -62.09 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 71.519999999999996 109.312 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -43.89 -61.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 74.019999999999996 109.311 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.9 m -98.03 -102.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 63.030000000000001 108.321 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.5 p 157.85 41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.319999999999993 110.039 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 2.4 m -90.0 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 64.129999999999995 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.811 HD21 HG22 ' A' ' 904' ' ' THR . 0.4 OUTLIER -60.79 106.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 72.040000000000006 109.34 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . . . . . . . . . . . -89.19 -36.09 15.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 62.329999999999998 109.29 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.9 169.65 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 72.239999999999995 108.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 904' ' ' THR . 23.4 p -113.72 148.08 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.150000000000006 109.984 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -48.78 -45.35 31.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 62.32 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.69 -28.82 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 71.420000000000002 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -93.12 30.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 63.450000000000003 109.281 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.539 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.3 mm -133.35 153.75 37.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 60.039999999999999 109.334 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.864 ' CE1' HD12 ' A' 1013 ' ' LEU . 17.8 m80 -119.41 172.38 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 63.340000000000003 109.594 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 8.9 t -134.87 158.1 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' 1015 ' ' TYR . 3.0 mt -128.85 111.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 74.019999999999996 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 41.11 28.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 62.329999999999998 110.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 925' ' ' LYS . 0.0 OUTLIER 49.5 48.99 20.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.28 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.513 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.5 ptm -137.91 -42.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.530000000000001 111.003 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.513 ' N ' ' CG ' ' A' ' 926' ' ' MET . 11.0 m170 -122.28 144.79 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 52.329999999999998 109.618 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' 1003 ' ' TRP . 1.3 m-70 -109.15 105.49 14.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 73.150000000000006 109.535 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.45 134.88 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 52.299999999999997 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 930' ' ' ASN . 5.2 t-20 -103.39 95.77 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 73.219999999999999 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 35.0 mmm -84.37 45.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 63.219999999999999 110.981 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.508 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -109.1 124.18 34.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 74.230000000000004 110.38 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.49 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.808 . . . . 64.209999999999994 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 932' ' ' THR . 14.1 pt-20 -55.9 -32.98 64.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 110.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 938' ' ' LEU . 39.5 t80 -58.54 -21.78 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 74.329999999999998 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 13.0 ptpt -62.89 -19.46 64.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.294 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.53 4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.140000000000001 110.249 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.526 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.3 mt -111.33 -19.85 12.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 55.409999999999997 109.29 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -124.1 149.63 45.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 110.999 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -125.11 135.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 65.049999999999997 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.4 t -98.43 133.79 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.049999999999997 109.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.83 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -110.55 122.48 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 74.510000000000005 110.319 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.55 104.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 71.349999999999994 110.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.504 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -153.14 129.79 10.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 61.210000000000001 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.45 -7.91 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 65.25 109.339 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.504 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.29 -13.42 38.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 35.130000000000003 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.7 mm? -103.42 -77.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.28 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.496 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -53.24 161.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 35.520000000000003 110.253 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 948' ' ' GLN . 0.1 OUTLIER -151.12 -162.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 73.030000000000001 109.346 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -92.05 65.31 4.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 64.120000000000005 109.296 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 49.3 m -99.5 140.64 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 55.329999999999998 108.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -109.73 -24.5 10.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 72.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -83.11 -35.94 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 64.409999999999997 109.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . 0.602 ' CD1' ' SD ' ' A' ' 972' ' ' MET . 6.1 m-85 -147.78 85.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 73.540000000000006 111.027 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 973' ' ' VAL . 11.7 tm0? -73.33 141.33 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 74.140000000000001 110.305 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -113.34 156.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.272 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -105.56 -23.18 12.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 72.239999999999995 109.316 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.27 -138.96 6.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 70.209999999999994 111.029 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.7 144.25 50.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 64.030000000000001 110.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . . . . . . . . . 17.7 pt -101.82 135.4 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 35.32 109.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.83 HD11 ' HD3' ' A' ' 942' ' ' ARG . 23.7 pt -134.7 148.4 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.26 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.1 p -66.61 -174.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 74.239999999999995 108.263 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.45 ' HE2' HD11 ' A' ' 940' ' ' ILE . 3.9 mmmm -58.66 -51.7 68.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.311 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 4.3 m -56.78 -38.69 72.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 43.509999999999998 108.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 118.78 36.96 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 53.520000000000003 111.057 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 22.5 tp60 -95.23 116.07 28.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 72.340000000000003 110.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.775 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.2 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 34.409999999999997 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.742 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.7 m0 -70.34 -31.92 69.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 108.016 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 167.11 -123.52 1.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 71.019999999999996 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.69 163.86 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 74.230000000000004 110.43 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 28.1 tpp -111.59 105.14 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.09 . . . . 70.140000000000001 111.006 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . 0.602 ' SD ' ' CD1' ' A' ' 954' ' ' TYR . 1.9 mtm -81.78 172.42 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 64.099999999999994 110.971 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 955' ' ' GLN . 45.0 t -137.71 158.38 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.420000000000002 109.297 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.922 ' HB3' HD11 ' A' ' 979' ' ' LEU . 1.5 t-80 -157.47 101.79 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 64.019999999999996 109.572 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.8 mttp 61.7 15.34 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.92 1.93 34.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 73.329999999999998 110.958 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 978' ' ' ASP . 0.8 OUTLIER -79.34 166.43 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 73.030000000000001 109.276 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.782 ' N ' HD13 ' A' ' 977' ' ' LEU . 0.5 OUTLIER -116.01 112.02 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -121.7 97.06 46.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.5 109.274 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.489 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.91 113.91 3.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 75.430000000000007 111.073 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.64 105.11 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 72.409999999999997 108.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 982' ' ' LEU . 0.7 OUTLIER -82.92 155.5 24.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.259 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.423 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 46.7 mttt -124.78 121.34 34.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 70.150000000000006 109.234 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.52 -30.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.239999999999995 109.252 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -64.19 -14.3 54.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 110.314 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 74.1 m-20 -115.68 0.41 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 62.210000000000001 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.742 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.1 m-85 -126.64 -179.37 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 110.957 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 998' ' ' LYS . 3.2 t -138.94 162.39 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.420000000000002 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 14.4 t -122.31 136.65 58.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 73.439999999999998 109.294 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.439 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.6 t -132.09 132.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 73.319999999999993 109.346 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.619 ' CD1' HG22 ' A' ' 903' ' ' ILE . 65.2 m-85 -96.64 135.02 39.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 110.997 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 994' ' ' ASN . 6.9 ttpt -85.92 -51.29 6.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 55.32 109.284 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.824 HD21 HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.83 -29.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 64.420000000000002 109.299 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . 0.434 ' N ' ' C ' ' A' ' 992' ' ' LYS . 1.4 t30 -145.69 126.92 14.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 74.129999999999995 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . 0.401 ' C ' ' OG1' ' A' ' 996' ' ' THR . 1.7 m -60.66 95.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 73.519999999999996 109.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 5.1 m -155.36 160.02 40.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 72.239999999999995 110.398 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 990' ' ' VAL . 11.9 ttmt -133.72 111.74 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -105.26 150.99 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 55.340000000000003 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -127.92 110.61 12.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 65.439999999999998 110.282 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.465 ' C ' ' CG2' ' A' ' 984' ' ' ILE . 83.7 m-85 -101.87 -177.35 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.140000000000001 110.965 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.526 ' CA ' HG22 ' A' ' 984' ' ' ILE . 36.0 pttt -123.1 -47.45 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.450000000000003 109.301 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.546 ' HB3' HG12 ' A' 1004 ' ' VAL . 24.7 mttm -119.89 151.44 38.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 52.009999999999998 109.305 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.693 ' HA ' HD12 ' A' ' 984' ' ' ILE . 60.7 m95 -62.72 -34.83 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 74.530000000000001 107.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.546 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -53.39 -27.28 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 70.140000000000001 109.305 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -69.68 -34.41 73.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 74.439999999999998 110.29 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -51.37 108.55 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 61.399999999999999 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.457 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 71.140000000000001 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.47 130.85 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.319999999999993 109.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 t -65.78 137.9 57.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 54.25 110.386 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -124.59 166.03 21.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -164.49 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 65.209999999999994 111.004 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.23 97.96 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 54.229999999999997 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.864 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -115.52 118.74 34.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.3 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 5.8 t0 -95.69 102.39 14.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.209999999999994 109.301 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.505 ' CD1' ' CD1' ' A' ' 923' ' ' ILE . 1.4 p90 -42.9 -32.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1017 ' ' GLU . 1.7 t -54.48 -45.49 73.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.299999999999997 110.007 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' 1019 ' ' CYS . 2.7 mt-10 -37.31 -52.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 17.3 m -58.08 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.209999999999994 108.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' 1017 ' ' GLU . 69.9 m -94.27 21.76 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 72.120000000000005 108.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' 1020 ' ' LEU . 0.9 OUTLIER -63.29 -42.02 99.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.150000000000006 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.77 ' CZ ' HD23 ' A' ' 977' ' ' LEU . 61.8 m-85 -90.5 16.43 8.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 73.340000000000003 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 47.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 73.200000000000003 110.008 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -118.42 18.7 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 74.040000000000006 109.309 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.43 177.37 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.319999999999993 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 74.030000000000001 109.274 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 64.530000000000001 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.982 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.02 177.91 7.97 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.554 1.818 . . . . 51.009999999999998 111.01 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.982 HD22 ' C ' ' A' ' 892' ' ' PRO . 2.6 mm? -140.85 -174.84 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 71.219999999999999 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -122.11 164.31 15.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 62.399999999999999 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 38.7 t -121.57 -76.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 71.420000000000002 110.002 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -116.26 -171.68 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 65.439999999999998 110.982 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.84 177.89 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 73.209999999999994 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.6 m120 56.66 36.99 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 902' ' ' LEU . 5.9 t-20 -128.59 124.43 22.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 71.200000000000003 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.513 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 1.34 7.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 71.340000000000003 110.953 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.0 t -87.7 -24.7 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 71.349999999999994 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.972 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -91.32 -24.15 19.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.030000000000001 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.627 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.54 156.83 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 61.109999999999999 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.84 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.33 162.49 39.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 70.099999999999994 110.425 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' ' 920' ' ' ILE . 9.0 m-30 -104.13 140.76 37.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.040000000000006 111.003 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.5 OUTLIER -134.5 176.11 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.319999999999993 109.356 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.5 t -90.44 122.18 33.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.025 -0.988 . . . . 53.32 110.928 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -52.82 -60.29 3.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 51.240000000000002 109.308 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -45.08 -57.74 3.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 62.210000000000001 109.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.566 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.7 m -100.01 -101.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 65.010000000000005 108.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.7 p 154.55 41.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.400000000000006 109.99 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.06 131.24 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 72.150000000000006 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.22 107.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 63.020000000000003 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.417 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -34.76 18.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 61.450000000000003 109.312 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.967 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.12 165.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 72.349999999999994 108.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.6 ' CB ' HG23 ' A' ' 904' ' ' THR . 8.9 t -109.01 159.85 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 34.509999999999998 110.024 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.61 -52.86 35.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 41.229999999999997 111.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.416 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 3.0 pp20? -59.33 -25.28 64.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 74.209999999999994 110.251 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 29.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.049999999999997 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.528 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.26 156.43 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 54.329999999999998 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.865 ' ND1' HD12 ' A' 1013 ' ' LEU . 8.1 m170 -124.81 159.41 31.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 65.430000000000007 109.617 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 2.9 t -120.31 156.64 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.209999999999994 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 924' ' ' GLU . 4.0 mt -130.23 116.04 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 923' ' ' ILE . 1.0 OUTLIER 49.69 32.23 4.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 51.119999999999997 110.301 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.413 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 2.0 mptt 40.44 32.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 75.319999999999993 109.279 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.502 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 15.5 ptm -132.66 -42.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 73.409999999999997 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.502 ' N ' ' CG ' ' A' ' 926' ' ' MET . 72.5 m-70 -106.08 129.23 54.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 61.100000000000001 109.569 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' 1003 ' ' TRP . 68.9 m80 -103.56 103.42 13.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.605 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 981' ' ' CYS . 4.7 m -111.56 149.7 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.399999999999999 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.13 96.08 6.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 64.409999999999997 109.323 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 30.7 mmm -83.92 46.75 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.530000000000001 110.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.967 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -106.04 126.2 31.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 110.378 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.472 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -74.93 -45.23 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 61.509999999999998 111.052 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.535 ' HG2' HG22 ' A' ' 932' ' ' THR . 10.4 pt-20 -58.97 -28.98 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 75.140000000000001 110.346 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.693 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 78.4 t80 -68.53 -19.43 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 74.239999999999995 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.8 ptpt -65.64 -17.34 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 73.099999999999994 109.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -105.0 4.65 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 73.510000000000005 110.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.59 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 13.4 mt -110.23 -11.48 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 70.129999999999995 109.283 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -127.69 149.27 50.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.99 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.684 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.6 mt -125.53 138.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 60.240000000000002 109.272 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -104.83 136.16 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 63.130000000000003 109.336 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.839 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.21 119.36 39.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 73.519999999999996 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -45.2 104.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 73.219999999999999 110.28 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.4 t30 -155.11 129.22 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 74.040000000000006 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -96.72 -7.06 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 74.109999999999999 109.308 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.29 -13.08 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 109.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.5 mm? -100.53 -55.65 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 62.350000000000001 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -78.43 145.88 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 65.209999999999994 110.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.593 ' N ' HE21 ' A' ' 948' ' ' GLN . 53.3 mttp -137.8 140.41 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.409999999999997 109.302 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -60.37 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 74.420000000000002 109.282 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 11.2 t -50.32 98.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 108.298 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 178.82 179.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 51.009999999999998 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -110.31 -26.26 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 64.430000000000007 109.34 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -111.47 94.97 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 71.430000000000007 110.982 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.4 tm0? -67.23 135.67 53.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 72.420000000000002 110.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 971' ' ' MET . 0.9 OUTLIER -113.32 158.27 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 73.310000000000002 109.293 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -104.33 -24.74 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.099999999999994 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 159.95 -139.7 6.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 53.32 110.983 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -125.66 133.9 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 72.400000000000006 110.306 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 941' ' ' VAL . 20.1 pt -92.75 136.25 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.340000000000003 109.317 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.839 HD11 ' HD3' ' A' ' 942' ' ' ARG . 15.4 pt -138.65 145.17 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 74.5 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.65 -174.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 108.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.684 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -60.6 -51.63 68.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.35 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 8.3 m -56.33 -35.1 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 65.129999999999995 108.261 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.88 39.26 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 72.219999999999999 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 968' ' ' TRP . 29.5 tp60 -96.29 121.34 37.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 70.129999999999995 110.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.72 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.27 91.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 72.209999999999994 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.7 m0 -65.45 -39.34 91.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 108.024 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 173.8 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 74.349999999999994 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.42 156.53 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 0.725 . . . . 73.540000000000006 110.444 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 956' ' ' ILE . 27.4 tpp -102.19 100.34 10.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.430000000000007 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 956' ' ' ILE . 2.6 mtm -82.09 166.41 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 73.510000000000005 110.971 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 977' ' ' LEU . 9.6 t -143.37 138.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 54.119999999999997 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.7 t-80 -127.3 101.51 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.510000000000005 109.579 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.506 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 4.6 mttp 59.18 21.34 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.25 109.347 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.3 12.35 29.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 111.03 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.735 ' O ' HG13 ' A' ' 973' ' ' VAL . 16.7 tp -83.59 166.19 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 72.049999999999997 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -119.26 110.03 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 75.109999999999999 109.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.62 HD21 HD23 ' A' ' 977' ' ' LEU . 0.1 OUTLIER -139.55 98.07 8.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 72.439999999999998 109.267 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.48 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 117.42 4.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.766 . . . . 62.409999999999997 111.028 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -95.73 106.66 18.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.129999999999995 108.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.693 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -89.48 164.71 14.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 65.230000000000004 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.422 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 12.7 mttt -125.14 122.1 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 64.239999999999995 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -59.24 -19.07 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 72.140000000000001 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -71.78 -6.33 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 78.1 m-20 -123.48 -1.64 8.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 64.099999999999994 109.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 30.9 m-85 -121.56 -176.85 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 110.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.02 161.81 28.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.61 123.77 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 71.400000000000006 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.632 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.1 t -113.49 121.43 65.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 70.439999999999998 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.527 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -90.11 119.63 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 64.430000000000007 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -85.24 -16.23 40.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 73.209999999999994 109.261 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.972 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.84 -49.82 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 71.340000000000003 109.298 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -69.56 -9.87 55.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 75.310000000000002 109.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 996' ' ' THR . 69.7 p 50.97 54.32 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 61.340000000000003 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.613 HG21 ' HE3' ' A' ' 998' ' ' LYS . 25.4 m -157.79 173.94 16.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 70.329999999999998 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.632 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.8 ttmt -134.01 115.95 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 74.299999999999997 109.351 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.613 ' HE3' HG21 ' A' ' 996' ' ' THR . 2.4 mptm? -109.72 160.65 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 74.239999999999995 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -127.7 105.99 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 64.310000000000002 110.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.479 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 70.1 m-85 -94.14 -170.9 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 110.992 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.523 ' CA ' HG22 ' A' ' 984' ' ' ILE . 6.5 pttp -128.36 -47.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 73.530000000000001 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.728 ' HB3' HG12 ' A' 1004 ' ' VAL . 33.2 mttt -121.15 155.26 34.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 62.25 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 984' ' ' ILE . 25.2 m95 -66.75 -23.58 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 107.988 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -65.36 -28.47 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 65.010000000000005 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -73.88 -16.47 61.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 74.409999999999997 110.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.768 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -70.79 114.09 23.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 63.539999999999999 109.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.99 -0.84 10.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 51.009999999999998 111.02 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.627 HG21 ' CD1' ' A' ' 903' ' ' ILE . 1.0 OUTLIER -92.41 134.0 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.299999999999997 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -69.92 158.49 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 35.240000000000002 110.386 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.768 ' CE1' HD23 ' A' 1006 ' ' LEU . 10.0 m-85 -134.57 161.82 61.39 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 63.049999999999997 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -164.58 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 45.130000000000003 110.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 1.5 m120 -149.19 105.09 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 73.019999999999996 109.324 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.865 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.35 123.24 43.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 62.240000000000002 109.266 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' 1015 ' ' TYR . 11.7 t0 -131.01 122.93 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 109.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' 1014 ' ' ASP . 1.2 p90 -36.5 -46.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 73.219999999999999 111.001 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.4 t -39.55 -50.57 2.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 73.310000000000002 110.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -38.83 -46.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 73.329999999999998 110.271 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.6 p -124.39 106.65 10.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 74.409999999999997 108.3 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.468 ' C ' HD23 ' A' 1020 ' ' LEU . 5.0 t -113.57 75.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 70.420000000000002 108.251 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' 1019 ' ' CYS . 4.6 mt -104.24 -39.76 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 73.319999999999993 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -38.49 -29.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 75.239999999999995 111.002 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' 1020 ' ' LEU . 19.2 t -46.63 103.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 72.530000000000001 110.016 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 30.6 t70 -119.93 -41.01 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 61.130000000000003 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.6 177.81 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 44.340000000000003 110.336 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 65.310000000000002 109.311 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.986 -0.846 . . . . 75.430000000000007 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 893' ' ' LEU . 18.2 Cg_endo -75.05 87.66 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 53.299999999999997 110.985 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 893' ' ' LEU . 0.3 OUTLIER 40.47 54.0 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 50.140000000000001 109.263 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 166.73 136.72 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 34.219999999999999 111.017 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 12.9 t -175.17 156.04 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 73.540000000000006 109.986 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -59.45 -173.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 71.030000000000001 110.992 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 898' ' ' ASN . 23.3 ttpp -175.56 168.17 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 60.100000000000001 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' 1007 ' ' PRO . 19.1 t-20 64.44 22.49 12.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 72.299999999999997 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -115.96 123.33 31.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.519 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 75.549999999999997 111.048 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 10.9 t -84.89 -26.37 27.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 71.209999999999994 109.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.956 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -88.39 -27.04 21.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 70.340000000000003 109.304 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -96.08 158.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 75.319999999999993 109.239 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.6 158.14 43.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 70.540000000000006 110.447 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.531 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.8 m-30 -99.53 139.36 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 54.43 111.031 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.78 176.37 8.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 65.340000000000003 109.321 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.8 t -89.21 122.81 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.971 -1.013 . . . . 75.140000000000001 110.912 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -53.35 -60.4 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 109.3 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -45.43 -57.01 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.0 m -100.64 -101.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 73.049999999999997 108.308 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.8 p 154.84 43.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 71.030000000000001 109.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.99 131.94 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 75.409999999999997 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -61.05 106.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.54 -34.67 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 54.409999999999997 109.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.42 ' SG ' ' ND2' ' A' ' 930' ' ' ASN . 1.1 p -179.24 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.230000000000004 108.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.587 ' CB ' HG23 ' A' ' 904' ' ' THR . 41.9 p -104.6 160.38 15.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 63.109999999999999 109.997 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . 0.417 ' HA2' ' CZ ' ' A' ' 905' ' ' PHE . . . -55.41 -50.84 58.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 62.409999999999997 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -24.46 66.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 65.5 110.289 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -93.15 28.84 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 73.430000000000007 109.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.531 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.7 mm -133.24 157.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.724 ' CG ' HD12 ' A' 1013 ' ' LEU . 21.4 m80 -126.24 153.71 44.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.420000000000002 109.629 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 923' ' ' ILE . 50.3 t -120.81 163.3 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' 1015 ' ' TYR . 2.0 mt -124.39 110.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 64.129999999999995 109.32 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 3.2 mt-10 37.3 40.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 64.409999999999997 110.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.415 ' CD ' HG11 ' A' ' 922' ' ' VAL . 12.5 mmtp 39.62 51.55 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 53.549999999999997 109.251 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.499 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 11.8 ptm -135.54 -41.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.530000000000001 111.012 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.499 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.0 m170 -128.31 145.92 50.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 73.549999999999997 109.576 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 982' ' ' LEU . 12.2 p-80 -107.33 104.59 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 61.329999999999998 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.3 m -111.89 130.12 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 71.409999999999997 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 915' ' ' CYS . 6.2 t-20 -95.74 95.76 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 75.409999999999997 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 49.6 mtt -84.56 46.5 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 71.400000000000006 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.559 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -103.66 123.99 39.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.400000000000006 110.433 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.459 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.4 Cg_endo -75.02 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.552 1.817 . . . . 73.010000000000005 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.559 ' HG2' HG22 ' A' ' 932' ' ' THR . 9.5 pt-20 -60.23 -27.2 67.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.341 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.844 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 81.6 t80 -70.14 -19.58 63.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 110.969 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.597 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 4.6 ptpt -65.45 -16.66 63.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.22 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.04 4.35 31.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 64.239999999999995 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.589 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 14.5 mt -109.85 -15.46 14.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.200000000000003 109.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.623 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -122.41 150.32 42.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.219999999999999 110.995 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.79 137.19 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 75.319999999999993 109.333 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.618 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -103.76 132.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 24.129999999999999 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.5 OUTLIER -109.11 124.54 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 73.209999999999994 110.298 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -46.78 104.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.476 HD21 ' N ' ' A' ' 947' ' ' LEU . 2.2 t30 -155.37 123.08 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 109.294 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -93.48 -7.97 42.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 109.326 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.446 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.09 -12.8 42.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -102.05 -57.2 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 64.040000000000006 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.594 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -76.64 146.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.409999999999997 110.294 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.594 ' N ' HE21 ' A' ' 948' ' ' GLN . 45.8 mtmt -133.87 176.94 8.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 65.340000000000003 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 952' ' ' ALA . 34.0 mttm -94.66 -77.25 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 73.439999999999998 109.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 7.5 p -50.98 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 108.268 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -178.96 179.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 65.230000000000004 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -110.42 -26.59 9.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 75.25 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -112.2 95.5 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 74.329999999999998 110.966 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 973' ' ' VAL . 11.2 tm0? -67.24 134.21 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.533 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.1 mm -108.71 158.74 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 64.420000000000002 109.328 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' A' ' 973' ' ' VAL . 0.9 OUTLIER -102.99 -25.77 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 63.210000000000001 109.264 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.35 -137.5 4.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 22.41 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.93 138.39 54.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 72.310000000000002 110.302 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.577 HG22 HG23 ' A' ' 941' ' ' VAL . 7.9 pt -97.67 134.22 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 71.019999999999996 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.84 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -137.68 148.21 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 109.292 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.05 -174.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 64.340000000000003 108.283 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -62.14 -51.77 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 55.229999999999997 109.317 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.8 m -55.08 -34.48 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 65.409999999999997 108.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.5 37.73 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 41.009999999999998 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.5 tp60 -95.98 121.29 37.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 0.798 . . . . 74.340000000000003 110.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.59 92.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 70.140000000000001 109.337 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.694 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 7.2 m0 -65.63 -38.72 90.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.010000000000005 107.999 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.469 ' HA2' ' CD ' ' A' ' 983' ' ' LYS . . . 170.95 -117.89 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 72.010000000000005 111.017 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.448 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.7 OUTLIER -152.63 164.64 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 42.219999999999999 110.438 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.569 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 26.4 tpp -109.88 96.41 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.239999999999995 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 28.7 mtp -82.09 153.64 25.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 74.200000000000003 110.996 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 977' ' ' LEU . 11.0 t -124.0 147.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 72.519999999999996 109.294 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.765 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -138.46 101.38 4.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.019999999999996 109.585 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 60.63 22.37 12.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 75.420000000000002 109.298 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.55 1.37 50.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.721 ' O ' HG13 ' A' ' 973' ' ' VAL . 9.2 tp -79.39 166.66 21.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 75.409999999999997 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -116.02 114.54 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 74.120000000000005 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -133.7 96.55 16.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.313 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.569 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.5 Cg_endo -74.96 121.32 6.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.52 1.8 . . . . 72.120000000000005 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . 0.567 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -98.43 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 51.149999999999999 108.359 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.844 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.9 OUTLIER -97.17 145.71 25.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 75.439999999999998 109.26 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -109.28 126.88 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 71.549999999999997 109.271 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.7 mt -58.93 -26.57 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 6.3 ptt180 -66.3 -7.89 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.9 m-20 -117.96 -5.83 11.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 74.329999999999998 109.264 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.694 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.2 m-85 -121.86 -175.93 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 72.109999999999999 110.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.552 HG22 ' NE2' ' A' ' 999' ' ' GLN . 9.9 t -138.33 162.18 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 74.109999999999999 109.305 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -119.89 124.18 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.409999999999997 109.305 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.0 OUTLIER -112.89 116.35 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 62.399999999999999 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -83.03 118.2 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 54.039999999999999 110.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . 0.425 ' CB ' ' NZ ' ' A' ' 992' ' ' LYS . 8.8 mtmp? -86.16 -16.73 36.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 61.350000000000001 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.956 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.88 -44.77 5.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 75.540000000000006 109.269 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -77.59 -0.95 28.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 73.040000000000006 109.321 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 43.14 55.89 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 64.349999999999994 109.963 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 997' ' ' LYS . 16.9 m -157.51 174.36 15.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 62.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.633 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.9 ttmt -134.16 116.99 16.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 54.439999999999998 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.479 ' HE3' HG21 ' A' ' 996' ' ' THR . 0.5 OUTLIER -113.37 151.79 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 73.349999999999994 109.249 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . 0.552 ' NE2' HG22 ' A' ' 988' ' ' VAL . 11.5 tt0 -118.29 104.89 11.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.229999999999997 110.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.491 ' CB ' HG21 ' A' ' 984' ' ' ILE . 59.2 m-85 -92.01 -174.47 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 75.049999999999997 111.002 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.536 ' CA ' HG22 ' A' ' 984' ' ' ILE . 10.5 pttt -124.58 -48.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.504 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -118.75 159.53 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 64.450000000000003 109.278 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.658 ' HA ' HD12 ' A' ' 984' ' ' ILE . 48.0 m95 -71.0 -16.76 62.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.510000000000005 108.012 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.4 p -72.74 -32.9 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.12 -19.49 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.230000000000004 110.328 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.717 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.4 tp -73.55 116.58 52.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.472 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.4 Cg_endo -74.98 0.5 8.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 60.32 111.059 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.468 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -87.01 133.14 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.259 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.8 m -80.58 121.7 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.420000000000002 110.43 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.717 ' CE1' HD23 ' A' 1006 ' ' LEU . 8.9 m-85 -93.57 165.63 17.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 72.010000000000005 110.995 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . 0.45 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.96 -163.39 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.787 . . . . 74.140000000000001 111.014 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' 1011 ' ' PRO . 3.4 m-80 -149.2 102.82 3.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 53.32 109.335 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.724 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -114.63 118.34 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 52.25 109.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -100.73 -179.75 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 72.25 109.269 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.712 ' CE1' HD11 ' A' ' 923' ' ' ILE . 19.4 m-85 -87.36 -29.11 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 70.299999999999997 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 6.9 t -40.1 -35.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 60.100000000000001 109.996 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.31 -49.87 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 110.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' 1015 ' ' TYR . 3.9 m -94.29 89.61 5.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 62.420000000000002 108.313 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 4.4 m -113.89 39.16 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 71.25 108.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.756 ' N ' HD13 ' A' 1020 ' ' LEU . 0.0 OUTLIER -81.91 -55.6 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 54.140000000000001 109.326 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.75 -13.37 22.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 73.340000000000003 111.012 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 12.8 t -68.17 102.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.988 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -134.6 22.01 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 75.319999999999993 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.93 178.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 64.129999999999995 110.294 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 62.130000000000003 109.331 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.022 -0.831 . . . . 24.32 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.51 ' O ' HD23 ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.01 125.48 9.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.812 . . . . 75.319999999999993 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 892' ' ' PRO . 6.2 mt -113.33 164.88 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.129999999999995 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.67 134.47 8.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 111.044 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 3.9 m -175.51 -175.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 73.099999999999994 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.0 -62.88 1.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 73.519999999999996 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 50.99 22.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 54.240000000000002 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -86.46 55.34 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 55.119999999999997 109.352 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -144.71 130.03 9.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 73.430000000000007 109.249 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.483 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.2 Cg_endo -75.02 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 70.329999999999998 110.984 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 1.3 t -86.02 -26.47 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 71.510000000000005 110.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.665 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.81 -27.97 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 72.430000000000007 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.503 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.5 OUTLIER -95.93 156.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.150000000000006 109.305 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.877 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.47 161.99 40.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 75.019999999999996 110.424 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.626 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.3 m-30 -99.23 139.37 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 111.002 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 905' ' ' PHE . 1.4 mt -133.92 173.56 11.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 54.219999999999999 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.6 t -92.25 114.5 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.003 -0.999 . . . . 64.319999999999993 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -46.71 -58.96 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.230000000000004 109.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.7 m-20 -46.9 -58.38 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 72.329999999999998 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 911' ' ' SER . 70.8 m -99.12 -102.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 52.409999999999997 108.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.1 m 156.89 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 74.430000000000007 110.02 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -95.55 135.07 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 72.439999999999998 109.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.877 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.61 108.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 61.530000000000001 109.258 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.429 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.82 -35.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 63.210000000000001 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -176.62 162.99 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 108.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 904' ' ' THR . 42.8 p -109.7 158.84 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 53.149999999999999 110.007 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.6 -54.7 28.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.15 . . . . 70.329999999999998 110.989 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 8.1 pt-20 -52.71 -28.86 23.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 72.340000000000003 110.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 5.8 t0 -93.19 29.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 74.040000000000006 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.6 mm -133.09 149.98 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 71.439999999999998 109.314 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.713 ' ND1' HD12 ' A' 1013 ' ' LEU . 19.6 m80 -121.15 158.55 27.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 64.430000000000007 109.62 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 923' ' ' ILE . 75.6 t -122.48 162.92 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.294 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' 1015 ' ' TYR . 3.7 mm -122.28 109.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 54.219999999999999 109.256 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.417 ' HG2' HG23 ' A' ' 923' ' ' ILE . 3.6 pt-20 37.92 40.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 72.549999999999997 110.297 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.435 ' CE ' ' OD1' ' A' 1012 ' ' ASN . 11.0 mmtp 40.94 51.39 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 54.439999999999998 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.498 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 10.2 ptm -134.41 -40.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 53.509999999999998 111.036 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.498 ' N ' ' CG ' ' A' ' 926' ' ' MET . 21.1 m170 -130.88 156.33 45.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 64.530000000000001 109.567 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.647 ' CD2' ' NE1' ' A' 1003 ' ' TRP . 3.3 p-80 -115.2 107.16 14.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 75.150000000000006 109.598 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.36 132.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 64.420000000000002 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.483 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 5.6 t-20 -98.47 95.95 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 70.530000000000001 109.282 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 22.7 mmm -83.14 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 60.530000000000001 110.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.435 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.4 OUTLIER -107.91 121.97 42.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 64.510000000000005 110.359 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -43.0 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 72.519999999999996 111.019 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.4 pt-20 -55.7 -32.97 63.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.340000000000003 110.297 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -59.36 -22.81 61.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.040000000000006 110.989 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.3 ptpt -64.35 -15.86 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 74.209999999999994 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -105.15 4.28 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 110.344 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.403 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 12.4 mt -111.57 -22.89 11.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 109.26 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.732 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -120.17 151.73 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 74.329999999999998 110.974 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.57 137.44 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 73.099999999999994 109.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.732 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -95.47 134.63 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 63.520000000000003 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.649 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -112.98 121.05 43.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 71.310000000000002 110.292 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -46.39 104.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 44.240000000000002 110.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.542 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 1.6 t30 -155.71 115.83 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 54.219999999999999 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -86.7 -7.72 58.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 54.450000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.542 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.96 -14.5 48.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 70.010000000000005 109.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.498 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.5 mm? -104.53 -58.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 63.310000000000002 109.277 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.594 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -76.79 146.38 37.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.329999999999998 110.268 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.594 ' N ' HE21 ' A' ' 948' ' ' GLN . 31.7 mmtm -137.03 -173.2 3.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -104.84 -82.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 62.030000000000001 109.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 71.5 m -46.03 102.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 72.310000000000002 108.285 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 176.57 -177.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 75.439999999999998 109.291 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -110.79 -26.89 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 65.450000000000003 109.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -112.87 96.63 6.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 63.32 111.031 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.55 ' O ' HG23 ' A' ' 973' ' ' VAL . 12.4 tp60 -66.96 137.63 56.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 74.099999999999994 110.342 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -114.25 157.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 75.099999999999994 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.18 -25.82 13.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 63.219999999999999 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 161.0 -141.18 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 62.109999999999999 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -126.11 128.71 47.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 75.430000000000007 110.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.475 HG22 ' CE1' ' A' ' 939' ' ' TYR . 10.7 pt -84.72 134.51 26.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 75.430000000000007 109.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.815 HG22 ' HA ' ' A' ' 967' ' ' ALA . 26.7 pt -136.6 145.42 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 55.109999999999999 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.38 -175.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 108.299 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -61.05 -51.34 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 74.010000000000005 109.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.5 m -54.84 -36.38 64.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 64.140000000000001 108.265 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 114.3 37.38 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 51.43 110.996 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.426 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 23.2 tp60 -98.27 122.26 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 62.140000000000001 110.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.815 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -52.5 101.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.319999999999993 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.608 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -76.04 -34.66 59.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 63.039999999999999 108.011 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 172.65 -124.57 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 110.993 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.74 153.91 36.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 63.219999999999999 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 956' ' ' ILE . 16.5 tpp -98.08 92.67 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 73.019999999999996 110.998 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.0 mtp -81.88 148.35 28.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 73.319999999999993 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 977' ' ' LEU . 7.9 t -120.38 150.35 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 62.450000000000003 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.752 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.68 97.71 3.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 64.129999999999995 109.578 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 26.4 mttm 60.8 23.44 13.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.230000000000004 109.328 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.43 -0.71 43.15 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 110.948 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 973' ' ' VAL . 7.6 tp -79.27 166.76 21.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 71.5 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -115.08 118.21 32.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 74.450000000000003 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -139.46 96.75 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.319999999999993 109.291 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 123.61 7.98 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 74.299999999999997 111.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.38 104.96 15.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 61.340000000000003 108.305 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 930' ' ' ASN . 0.3 OUTLIER -78.67 165.13 23.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 73.409999999999997 109.276 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 73.0 mttt -130.74 116.42 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.510000000000005 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.3 mt -58.49 -19.45 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 63.43 109.332 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.3 OUTLIER -72.57 -5.46 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 63.140000000000001 110.298 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.4 m-20 -128.42 3.01 5.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 62.509999999999998 109.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.608 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 22.6 m-85 -123.85 -175.77 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.400000000000006 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.02 154.64 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 73.129999999999995 109.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.69 116.5 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 73.019999999999996 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.465 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.8 t -114.98 121.46 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 64.120000000000005 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -78.11 137.71 38.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.400000000000006 110.988 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -85.64 -34.47 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 75.010000000000005 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.665 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.79 -53.49 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 73.310000000000002 109.335 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -143.56 158.56 43.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 75.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 84.2 p -62.06 92.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 73.349999999999994 109.986 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.545 HG22 ' NZ ' ' A' ' 998' ' ' LYS . 2.6 m -147.75 142.94 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.329999999999998 110.395 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -125.29 108.85 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 61.100000000000001 109.288 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.545 ' NZ ' HG22 ' A' ' 996' ' ' THR . 5.2 mptt -104.89 129.72 53.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 109.288 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -110.97 109.8 20.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.230000000000004 110.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.467 ' HB2' HG21 ' A' ' 984' ' ' ILE . 96.8 m-85 -102.53 -172.13 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 72.400000000000006 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.548 ' CA ' HG22 ' A' ' 984' ' ' ILE . 16.6 pttm -126.44 -44.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.030000000000001 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.723 ' HB3' HG12 ' A' 1004 ' ' VAL . 27.7 mttm -119.97 155.62 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 71.530000000000001 109.323 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.787 ' HA ' HD12 ' A' ' 984' ' ' ILE . 32.1 m95 -71.42 -17.19 62.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 73.340000000000003 108.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.1 p -67.47 -26.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.450000000000003 109.269 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.34 -33.82 69.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 64.450000000000003 110.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.653 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.3 tp -52.11 107.5 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.010000000000005 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.46 8.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 64.439999999999998 110.993 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.503 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -89.62 130.04 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 109.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.1 t -67.32 146.01 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.450000000000003 110.391 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.653 ' CE1' HD23 ' A' 1006 ' ' LEU . 4.3 m-85 -123.9 162.6 40.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 73.120000000000005 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.82 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 71.340000000000003 110.987 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . 0.435 ' OD1' ' CE ' ' A' ' 925' ' ' LYS . 5.3 m-80 -149.26 105.84 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.087 . . . . 73.230000000000004 109.278 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.713 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.83 124.35 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 64.120000000000005 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.448 ' HA ' HD13 ' A' ' 923' ' ' ILE . 9.2 t0 -107.79 167.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 63.549999999999997 109.296 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.583 ' CE1' HD11 ' A' ' 923' ' ' ILE . 5.2 m-85 -88.79 -39.24 14.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 64.140000000000001 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.8 t -57.91 -16.97 13.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 61.119999999999997 109.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -43.52 -49.3 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 73.239999999999995 110.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.4 t -142.86 179.36 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 52.25 108.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 48.8 t -84.75 65.87 9.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 74.400000000000006 108.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.468 HD13 ' OE2' ' A' 1024 ' ' GLU . 1.9 mm? -58.34 -17.43 19.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 63.039999999999999 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.75 -8.39 27.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.040000000000006 111.041 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' 1024 ' ' GLU . 0.4 OUTLIER -86.77 46.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 64.140000000000001 109.997 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 2.6 t70 45.5 26.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 50.109999999999999 109.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . 0.468 ' OE2' HD13 ' A' 1020 ' ' LEU . 63.5 mt-10 -55.95 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 110.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 109.321 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.981 -0.848 . . . . 25.050000000000001 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.757 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -75.03 -170.1 0.73 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 54.310000000000002 111.013 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.757 HD22 ' C ' ' A' ' 892' ' ' PRO . 3.3 mm? -139.39 -175.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 65.239999999999995 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -110.89 169.42 13.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 72.239999999999995 110.988 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 5.3 t -124.93 -64.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 75.230000000000004 109.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -45.92 172.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 70.109999999999999 111.029 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -174.64 157.25 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 109.286 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' 1007 ' ' PRO . 5.5 t-20 70.46 29.0 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 74.040000000000006 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -119.48 129.51 25.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 52.439999999999998 109.3 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.485 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.07 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.792 . . . . 71.400000000000006 111.016 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -84.07 -24.98 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 72.540000000000006 109.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.644 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -86.51 -28.18 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 109.304 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -95.91 155.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 61.039999999999999 109.272 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.867 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -146.44 158.87 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.413 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.3 m-30 -100.36 139.37 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.8 OUTLIER -133.64 177.37 7.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 63.420000000000002 109.308 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.9 t -92.65 121.28 33.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.069 -0.968 . . . . 74.030000000000001 110.942 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -51.82 -61.38 2.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 109.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -44.8 -58.51 3.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.310000000000002 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 911' ' ' SER . 74.1 m -98.51 -102.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.400000000000006 108.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.4 p 154.99 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.022 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -92.67 133.73 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.142 . . . . 64.010000000000005 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.867 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.87 106.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.120000000000005 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.401 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -84.67 -35.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.040000000000006 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 932' ' ' THR . 0.5 OUTLIER -179.99 167.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 54.219999999999999 108.319 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 19.0 t -103.99 163.54 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -62.5 -42.44 99.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 65.450000000000003 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.422 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 5.9 pt-20 -62.87 -28.07 69.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 75.040000000000006 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.8 t0 -94.28 30.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 63.520000000000003 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.8 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.1 mm -133.5 149.33 31.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 65.109999999999999 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.457 ' CD2' HD12 ' A' 1013 ' ' LEU . 52.3 m80 -113.9 174.06 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.409999999999997 109.624 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.3 t -135.22 157.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 74.030000000000001 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.527 HD13 ' HA ' ' A' 1014 ' ' ASP . 1.9 mm -132.95 111.81 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 55.310000000000002 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 53.24 24.06 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 49.23 26.5 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 64.409999999999997 109.261 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.459 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 8.0 ptp -123.96 -39.78 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 32.439999999999998 110.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.459 ' N ' ' CG ' ' A' ' 926' ' ' MET . 27.3 m170 -111.03 133.35 53.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 61.140000000000001 109.576 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' 1003 ' ' TRP . 4.9 m-70 -105.25 103.9 13.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 109.654 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.408 HG12 ' SG ' ' A' ' 981' ' ' CYS . 8.2 m -107.53 150.16 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.239999999999995 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 920' ' ' ILE . 66.0 t30 -119.23 96.78 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 51.420000000000002 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 4.4 mmt -82.65 47.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 111.033 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.602 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.71 123.63 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 72.299999999999997 110.362 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.471 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -75.0 -44.31 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 44.340000000000003 110.976 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.7 -33.73 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.319999999999993 110.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.637 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 76.6 t80 -62.47 -18.35 61.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 73.430000000000007 110.947 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.586 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.9 ptpt -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 71.340000000000003 109.348 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -103.55 4.2 35.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.420000000000002 110.352 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.463 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 11.8 mt -111.59 -18.45 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 65.319999999999993 109.235 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.64 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -121.51 149.18 43.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 111.011 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.0 137.38 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.219999999999999 109.312 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.639 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -102.37 125.9 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 54.310000000000002 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -97.46 139.25 33.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 110.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.32 104.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.099999999999994 110.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.497 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.6 t30 -157.59 129.3 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 65.549999999999997 109.292 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -96.71 -6.49 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 74.319999999999993 109.329 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -65.11 -12.86 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 34.509999999999998 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -101.82 -57.25 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 74.230000000000004 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.594 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -79.76 146.82 32.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.439999999999998 110.363 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.594 ' N ' HE21 ' A' ' 948' ' ' GLN . 35.6 mtmt -135.17 175.25 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 73.230000000000004 109.297 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 952' ' ' ALA . 34.3 mttt -94.15 -78.51 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 64.150000000000006 109.292 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 4.7 m -50.12 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.230000000000004 108.304 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.6 179.56 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 74.5 109.281 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -110.67 -25.74 9.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 62.420000000000002 109.273 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -112.52 95.81 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 72.140000000000001 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tm0? -66.97 135.85 54.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 72.120000000000005 110.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.524 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -112.21 159.2 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 71.510000000000005 109.258 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -103.55 -25.6 13.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 70.25 109.296 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.28 -138.17 5.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.19 131.19 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 71.140000000000001 110.291 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 939' ' ' TYR . 8.8 pt -86.31 137.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 73.450000000000003 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.742 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.2 pt -139.47 143.96 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.329999999999998 109.303 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.9 OUTLIER -63.96 -174.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 108.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' LYS . 4.5 mmmm -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 75.219999999999999 109.291 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.7 m -56.14 -34.82 66.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 72.120000000000005 108.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.86 37.5 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 74.420000000000002 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 26.0 tp60 -96.73 120.27 36.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 74.329999999999998 110.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.742 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.72 99.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 63.350000000000001 109.284 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.1 m0 -73.65 -28.24 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 73.319999999999993 107.977 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.554 ' O ' HG23 ' A' ' 970' ' ' THR . . . 162.93 -116.07 0.69 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 75.120000000000005 111.026 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -155.74 163.14 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 72.230000000000004 110.406 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.539 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.0 tpp -108.94 96.19 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 72.239999999999995 110.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.3 mtp -82.09 154.92 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 977' ' ' LEU . 13.9 t -127.98 147.56 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.420000000000002 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 2.3 t-80 -136.92 101.86 4.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.58 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 22.7 mttm 63.0 17.42 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.3 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 107.19 3.11 35.92 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 60.119999999999997 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.91 HD13 ' CZ ' ' A' 1021 ' ' PHE . 19.0 tp -79.31 167.34 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 64.040000000000006 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.984 ' C ' HD23 ' A' ' 979' ' ' LEU . 13.1 m-20 -117.03 114.57 23.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.984 HD23 ' C ' ' A' ' 978' ' ' ASP . 0.0 OUTLIER -134.39 97.16 14.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 109.263 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.539 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.4 Cg_endo -74.99 114.22 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.46 1.768 . . . . 54.020000000000003 111.007 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 929' ' ' VAL . 1.7 m -97.76 106.77 19.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 61.020000000000003 108.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.637 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.7 OUTLIER -86.22 173.72 9.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.200000000000003 109.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 24.2 mttt -132.8 122.88 25.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 65.109999999999999 109.287 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.9 mt -60.19 -19.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 64.310000000000002 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.61 -11.98 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.7 m-20 -117.97 -4.46 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 75.019999999999996 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 24.2 m-85 -117.14 -176.72 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.329999999999998 110.977 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.2 t -138.0 159.44 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 74.040000000000006 109.33 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' 1006 ' ' LEU . 2.5 t -122.11 118.86 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.5 t -116.64 120.54 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 55.25 109.252 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.41 ' CD2' HG22 ' A' ' 903' ' ' ILE . 71.8 m-85 -80.8 137.32 36.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 111.023 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 902' ' ' LEU . 14.4 ttmt -85.76 -35.85 20.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 61.409999999999997 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.644 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.65 -54.73 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 73.409999999999997 109.31 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.73 154.07 51.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 75.340000000000003 109.293 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 32.3 t -65.69 87.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 109.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.447 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 2.2 m -145.47 154.48 42.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 62.119999999999997 110.381 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -133.39 113.61 12.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 72.540000000000006 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.447 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.2 OUTLIER -109.29 141.78 41.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 65.150000000000006 109.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -117.2 111.08 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 61.420000000000002 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.478 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 60.9 m-85 -101.01 -170.94 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 71.549999999999997 110.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.567 ' CA ' HG22 ' A' ' 984' ' ' ILE . 40.5 pttt -130.99 -45.8 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.654 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.4 mmtp -117.66 148.9 41.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 72.430000000000007 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.742 ' HA ' HD12 ' A' ' 984' ' ' ILE . 54.8 m95 -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.654 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.1 p -56.98 -32.03 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 55.210000000000001 109.285 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.09 -23.41 67.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 110.273 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.1 tp -60.79 118.45 35.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 71.230000000000004 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.443 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.03 -11.49 21.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 74.230000000000004 111.011 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -87.49 128.32 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 55.329999999999998 109.319 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.3 t -67.92 140.79 56.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 54.350000000000001 110.415 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.882 ' CE1' HD23 ' A' 1006 ' ' LEU . 3.7 m-85 -116.85 165.07 16.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.439999999999998 111.009 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 75.239999999999995 110.957 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -149.25 105.48 3.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 61.229999999999997 109.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -117.02 123.89 47.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 71.430000000000007 109.305 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.527 ' HA ' HD13 ' A' ' 923' ' ' ILE . 0.5 OUTLIER -109.76 177.38 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 109.31 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.45 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 15.7 m-85 -89.02 -26.82 21.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 1.121 . . . . 71.239999999999995 110.959 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.1 t -39.15 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 72.239999999999995 110.026 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' 1015 ' ' TYR . 5.6 mm-40 -51.91 -51.3 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 51.409999999999997 110.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 1.6 p -125.84 107.79 10.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 72.400000000000006 108.311 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.677 ' C ' HD23 ' A' 1020 ' ' LEU . 3.6 m -114.95 49.94 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 64.200000000000003 108.336 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.677 HD23 ' C ' ' A' 1019 ' ' CYS . 0.7 OUTLIER -103.49 -44.62 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 109.306 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.91 ' CZ ' HD13 ' A' ' 977' ' ' LEU . 27.1 m-85 -39.15 -29.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.120000000000005 111.009 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' 1020 ' ' LEU . 33.0 t -39.34 113.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 62.229999999999997 109.954 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 43.3 t0 -124.31 -45.16 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 109.335 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -63.31 171.64 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 61.439999999999998 110.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.292 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.023 -0.831 . . . . 43.450000000000003 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.659 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -74.98 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 44.350000000000001 110.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.659 HD22 ' C ' ' A' ' 892' ' ' PRO . 3.0 mm? -131.96 -74.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 72.230000000000004 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 153.99 127.88 1.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.442 1.088 . . . . 44.32 110.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 1.9 t -175.61 164.97 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 64.319999999999993 109.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -79.45 167.66 20.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 54.539999999999999 111.002 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.527 ' O ' HD11 ' A' 1008 ' ' ILE . 16.2 mtmm -134.57 22.53 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 73.200000000000003 109.265 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.1 t-20 -91.95 21.85 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 72.239999999999995 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -109.83 127.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 55.100000000000001 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.518 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 71.019999999999996 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 4.5 t -84.86 -24.54 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 54.229999999999997 110.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.647 HD13 ' ND2' ' A' ' 993' ' ' ASN . 0.6 OUTLIER -89.22 -26.36 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 74.239999999999995 109.276 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -97.31 157.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 71.349999999999994 109.316 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.85 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -149.38 163.63 37.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 64.439999999999998 110.416 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.568 ' O ' HD23 ' A' ' 906' ' ' LEU . 7.8 m-30 -100.47 136.61 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 111.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 990' ' ' VAL . 1.1 mt -135.49 158.3 44.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 64.140000000000001 109.244 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 44.5 t -75.44 121.47 22.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.957 -1.019 . . . . 74.439999999999998 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -52.55 -60.09 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 109.284 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 966' ' ' GLN . 5.4 m-20 -43.89 -58.91 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 911' ' ' SER . 78.6 m -98.49 -101.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 51.210000000000001 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 2.5 p 155.71 42.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.96 135.56 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 71.319999999999993 109.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.85 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -65.52 108.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.129999999999995 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.49 ' HB3' ' HE1' ' A' ' 987' ' ' PHE . . . -89.05 -34.89 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.78 164.38 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 24.510000000000002 108.281 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.572 ' CB ' HG23 ' A' ' 904' ' ' THR . 69.6 p -111.21 157.2 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 64.319999999999993 110.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.96 45.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 55.229999999999997 110.962 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 1.7 pp20? -56.88 -27.0 60.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 71.340000000000003 110.272 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.21 30.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 70.230000000000004 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.8 mm -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 71.010000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.528 ' CD2' HD12 ' A' 1013 ' ' LEU . 53.3 m80 -122.21 171.21 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 73.329999999999998 109.612 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.6 t -129.42 157.86 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.409999999999997 109.297 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.641 HD11 ' CE1' ' A' 1015 ' ' TYR . 2.2 mm -132.64 114.8 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 74.540000000000006 109.269 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.48 25.95 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 73.209999999999994 110.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 45.64 30.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 72.530000000000001 109.333 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 15.5 ptm -126.4 -41.09 1.91 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.128 . . . . 75.200000000000003 110.958 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.476 ' N ' ' CG ' ' A' ' 926' ' ' MET . 29.4 m170 -115.58 144.98 43.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.6 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.35 111.43 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 109.597 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . 0.477 HG11 ' OH ' ' A' 1015 ' ' TYR . 4.4 m -113.48 135.48 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.429 ' HB2' ' CD2' ' A' ' 982' ' ' LEU . 6.0 t-20 -101.46 95.34 6.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 71.400000000000006 109.315 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 26.2 mtt -85.66 47.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 64.019999999999996 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.608 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.7 OUTLIER -105.34 123.87 38.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 64.310000000000002 110.372 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 73.5 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.608 ' HG2' HG22 ' A' ' 932' ' ' THR . 15.3 pt-20 -56.12 -34.02 65.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 110.267 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -59.34 -21.37 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 75.519999999999996 111.037 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.555 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.8 ptpt -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 75.219999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -104.96 2.3 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 110.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 914' ' ' ALA . 18.0 mt -109.07 -25.38 10.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.658 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.3 OUTLIER -118.98 152.75 35.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 75.400000000000006 110.952 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.604 HD11 ' HD2' ' A' ' 963' ' ' LYS . 1.4 mt -125.71 135.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 75.109999999999999 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.658 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -98.35 135.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 65.010000000000005 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.87 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -112.64 117.34 31.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 75.030000000000001 110.351 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -43.98 104.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 73.239999999999995 110.263 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 947' ' ' LEU . 2.4 t30 -153.01 123.16 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 72.040000000000006 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -7.82 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 71.219999999999999 109.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.468 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.68 -13.21 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 61.420000000000002 109.336 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.474 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.5 mm? -102.2 -57.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.430000000000007 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -74.74 146.2 42.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.326 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.591 ' N ' HE21 ' A' ' 948' ' ' GLN . 35.7 mtpt -135.03 -179.22 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -97.22 -82.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 70.239999999999995 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 952' ' ' ALA . 86.0 m -46.29 103.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 70.239999999999995 108.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 951' ' ' CYS . . . 175.42 179.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.01 -25.77 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 72.299999999999997 109.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -112.78 95.95 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.120000000000005 110.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 973' ' ' VAL . 8.3 tm0? -67.25 137.24 56.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 51.539999999999999 110.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -111.79 158.39 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 75.420000000000002 109.27 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -103.79 -25.51 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 61.409999999999997 109.314 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.33 -139.96 6.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.128 . . . . 71.420000000000002 110.981 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.87 141.19 51.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 71.450000000000003 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.435 HG22 HG23 ' A' ' 941' ' ' VAL . 9.3 pt -99.14 135.28 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 109.324 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.87 HD11 ' HD3' ' A' ' 942' ' ' ARG . 24.7 pt -137.64 146.71 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 74.150000000000006 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.81 -177.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.150000000000006 108.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.604 ' HD2' HD11 ' A' ' 940' ' ' ILE . 5.7 mmtt -62.55 -48.98 77.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.299999999999997 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 17.3 m -56.51 -31.1 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 74.25 108.303 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 108.94 41.95 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 41.350000000000001 111.047 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.421 ' HB2' ' ND2' ' A' ' 909' ' ' ASN . 16.7 tp60 -106.15 122.54 46.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 62.219999999999999 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.832 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.78 106.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 51.210000000000001 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.592 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 5.3 m0 -82.22 -27.26 32.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 108.037 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 970' ' ' THR . . . 164.43 -117.43 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 62.140000000000001 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -156.49 172.73 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 74.230000000000004 110.427 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.525 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.4 tpp -116.51 93.83 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 73.129999999999995 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 21.2 mtp -81.82 153.46 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 63.109999999999999 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.752 HG13 ' O ' ' A' ' 977' ' ' LEU . 16.4 t -124.86 150.5 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 73.409999999999997 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.0 t-80 -143.13 102.28 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.64 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 28.5 mttt 65.65 21.38 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 73.349999999999994 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 98.88 -0.75 57.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.449 1.093 . . . . 63.340000000000003 110.973 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 978' ' ' ASP . 0.5 OUTLIER -79.64 161.34 25.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 0.745 . . . . 75.340000000000003 109.292 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.859 ' H ' HD13 ' A' ' 977' ' ' LEU . 73.3 m-20 -105.82 114.8 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 52.009999999999998 109.322 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.703 HD22 ' CZ ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -137.31 97.74 10.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 72.530000000000001 109.307 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.488 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.04 146.36 32.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.538 1.809 . . . . 65.349999999999994 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.96 101.84 7.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 72.129999999999995 108.274 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.496 ' N ' HD13 ' A' ' 982' ' ' LEU . 0.2 OUTLIER -74.12 168.0 20.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 71.019999999999996 109.278 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 21.3 mttm -131.72 118.25 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 109.312 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -61.43 -19.69 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 53.310000000000002 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 3.4 ptm180 -71.97 -13.48 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 71.340000000000003 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 64.9 m-20 -119.95 -1.19 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 71.409999999999997 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 914' ' ' ALA . 6.6 m-85 -116.52 -176.23 2.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 70.530000000000001 111.016 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.5 155.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 73.519999999999996 109.302 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.78 121.1 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 54.130000000000003 109.341 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.62 ' HB ' HD11 ' A' ' 906' ' ' LEU . 2.2 t -116.49 117.15 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.349999999999994 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -77.17 135.38 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 62.530000000000001 111.002 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -85.7 -39.74 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 65.310000000000002 109.273 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.647 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.59 -55.24 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 55.240000000000002 109.33 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -133.0 148.29 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 109.267 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 36.4 t -63.05 93.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 72.150000000000006 109.956 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.634 HG22 ' HZ2' ' A' ' 998' ' ' LYS . 3.5 m -153.37 156.68 38.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 74.510000000000005 110.426 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.459 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.2 ttpp -133.48 112.22 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 74.329999999999998 109.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.634 ' HZ2' HG22 ' A' ' 996' ' ' THR . 3.6 mptt -104.99 129.26 53.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 51.210000000000001 109.321 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -109.45 108.46 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 63.210000000000001 110.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.475 ' CB ' HG21 ' A' ' 984' ' ' ILE . 89.8 m-85 -99.14 -171.21 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 64.420000000000002 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.562 ' CA ' HG22 ' A' ' 984' ' ' ILE . 13.8 pttp -128.52 -45.24 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.746 ' HB3' HG12 ' A' 1004 ' ' VAL . 20.1 mmtp -117.63 150.65 38.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 53.119999999999997 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.794 ' HA ' HD12 ' A' ' 984' ' ' ILE . 52.7 m95 -67.31 -21.32 65.68 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.993 -1.114 . . . . 72.430000000000007 107.993 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.746 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.4 p -69.45 -25.69 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 60.149999999999999 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.41 -20.14 62.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 110.356 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1006 ' ' LEU . 6.2 tp -69.77 113.8 20.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 75.409999999999997 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.48 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.1 Cg_endo -75.01 1.18 8.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 61.420000000000002 111.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 897' ' ' LYS . 1.1 mp -86.91 133.11 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 73.150000000000006 109.288 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.7 m -78.85 132.21 36.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.319999999999993 110.414 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -108.7 165.78 12.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 54.520000000000003 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 62.130000000000003 111.024 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -148.74 107.84 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 72.530000000000001 109.279 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -121.17 118.93 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.49 169.49 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 70.109999999999999 109.348 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.703 ' CZ ' HD22 ' A' ' 979' ' ' LEU . 20.4 m-85 -89.06 -31.85 17.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 74.109999999999999 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -30.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 73.129999999999995 109.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' 1015 ' ' TYR . 36.2 mm-40 -60.69 -51.16 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 72.5 110.307 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' 1020 ' ' LEU . 3.6 m -97.08 90.03 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 72.209999999999994 108.286 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.429 ' C ' HD13 ' A' 1020 ' ' LEU . 28.3 p -107.91 34.78 3.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 63.329999999999998 108.323 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.778 ' N ' HD13 ' A' 1020 ' ' LEU . 0.0 OUTLIER -83.7 -44.88 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 74.129999999999995 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.565 ' CD1' HD23 ' A' ' 977' ' ' LEU . 70.6 m-85 -87.71 18.43 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 72.319999999999993 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 3.4 t -88.56 98.72 11.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 43.25 110.0 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.48 93.51 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 73.239999999999995 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -81.11 -178.37 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.099999999999994 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 63.229999999999997 109.281 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.99 -0.844 . . . . 61.409999999999997 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.817 ' O ' HD22 ' A' ' 893' ' ' LEU . 18.5 Cg_endo -74.93 149.7 37.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 70.310000000000002 111.026 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.817 HD22 ' O ' ' A' ' 892' ' ' PRO . 2.4 mm? -147.69 161.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 138.89 150.19 5.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 60.420000000000002 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 2.7 p -175.86 175.1 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 54.310000000000002 110.006 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.45 -175.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 73.409999999999997 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -151.67 165.27 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 65.030000000000001 109.29 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' 1007 ' ' PRO . 4.7 m120 56.92 55.92 5.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.129999999999995 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 126.85 12.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 53.229999999999997 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -74.95 0.91 8.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 62.25 111.039 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.7 t -85.6 -26.07 26.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 75.310000000000002 109.956 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.66 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -86.77 -25.46 24.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 63.32 109.301 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.5 OUTLIER -99.69 153.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.319999999999993 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.855 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.6 158.93 43.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 61.520000000000003 110.414 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.0 m-30 -100.49 137.89 38.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.9 OUTLIER -132.87 176.84 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 65.340000000000003 109.329 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 51.1 t -91.47 117.79 30.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.021 -0.991 . . . . 62.109999999999999 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -49.34 -59.07 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 109.303 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -45.71 -61.2 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 109.301 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.572 ' O ' ' CB ' ' A' ' 911' ' ' SER . 82.0 m -95.93 -100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.409999999999997 108.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.2 t 154.26 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 54.409999999999997 110.0 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -94.17 133.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 72.239999999999995 109.272 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.855 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 107.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 74.230000000000004 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.589 ' HA ' HD13 ' A' ' 938' ' ' LEU . . . -86.88 -35.67 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 72.409999999999997 109.301 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 1.6 p -178.16 163.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 65.329999999999998 108.359 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.679 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -107.96 156.06 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 44.149999999999999 109.992 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -49.52 -47.7 36.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 25.41 110.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.424 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 6.8 pt-20 -60.95 -26.84 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.753 . . . . 75.010000000000005 110.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 918' ' ' GLU . 7.5 t0 -93.27 28.77 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 73.519999999999996 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.544 HG13 ' CE2' ' A' ' 905' ' ' PHE . 2.2 mm -133.23 157.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 62.310000000000002 109.264 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.904 ' ND1' HD12 ' A' 1013 ' ' LEU . 19.2 m80 -120.54 168.85 10.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.030000000000001 109.617 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 923' ' ' ILE . 23.1 t -130.67 163.82 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.230000000000004 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.632 ' CD1' ' CZ ' ' A' 1015 ' ' TYR . 2.6 mm -128.0 103.69 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 71.209999999999994 109.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 923' ' ' ILE . 4.9 pt-20 37.38 41.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 73.340000000000003 110.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.475 ' CE ' ' ND2' ' A' 1012 ' ' ASN . 6.4 mmtp 40.1 51.52 2.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 72.150000000000006 109.258 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.489 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 11.4 ptm -131.63 -40.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 64.25 111.061 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 926' ' ' MET . 16.9 m170 -130.67 178.31 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 73.299999999999997 109.586 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.553 ' ND1' ' CD1' ' A' 1003 ' ' TRP . 7.7 p-80 -134.41 105.51 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 61.009999999999998 109.603 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.94 128.53 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 52.340000000000003 109.363 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -95.77 95.79 8.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 109.275 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.9 mmt -85.93 47.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 110.976 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 933' ' ' PRO . 0.7 OUTLIER -104.72 125.28 34.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 63.530000000000001 110.413 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.484 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.2 Cg_endo -74.94 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.807 . . . . 75.5 110.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -34.53 71.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 75.140000000000001 110.265 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 69.5 t80 -61.25 -18.73 59.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 54.009999999999998 110.997 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 3.2 ptpt -67.78 -16.38 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 52.240000000000002 109.328 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.68 0.55 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 74.319999999999993 110.281 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 914' ' ' ALA . 8.0 mt -107.39 -25.79 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 72.329999999999998 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -114.48 149.42 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 72.230000000000004 110.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.7 mt -130.7 137.3 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 74.219999999999999 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.513 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -99.04 134.65 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.926 ' HD3' HD11 ' A' ' 961' ' ' ILE . 0.2 OUTLIER -114.9 131.66 56.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.129999999999995 110.276 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.69 104.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 65.329999999999998 110.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.485 HD21 ' N ' ' A' ' 947' ' ' LEU . 3.2 t30 -152.92 128.46 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 72.219999999999999 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -96.65 -7.32 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 75.040000000000006 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.481 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -64.13 -12.88 43.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 53.009999999999998 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.485 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -101.27 -75.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.420000000000002 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.537 ' C ' ' CD ' ' A' ' 948' ' ' GLN . 0.0 OUTLIER -52.11 148.63 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 62.43 110.279 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.443 ' CB ' ' NZ ' ' A' ' 949' ' ' LYS . 2.3 mtmp? -135.25 9.59 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 71.150000000000006 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.53 ' H ' ' NE2' ' A' ' 948' ' ' GLN . 28.5 mttt 67.95 57.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.409999999999997 109.261 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.59 125.5 35.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.25 108.318 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.79 -37.81 79.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 70.420000000000002 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -44.65 81.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 74.329999999999998 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . 0.571 ' CD1' ' HE3' ' A' ' 972' ' ' MET . 37.3 m-85 -138.66 85.94 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 74.049999999999997 111.04 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.615 ' O ' HG23 ' A' ' 973' ' ' VAL . 19.9 tp60 -67.32 125.12 25.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.535 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 0.8 OUTLIER -103.36 153.96 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 75.010000000000005 109.29 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -113.83 -15.64 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 74.540000000000006 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.428 ' H ' HG22 ' A' ' 956' ' ' ILE . . . 159.97 -140.84 7.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 71.409999999999997 110.986 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.29 146.84 51.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 51.409999999999997 110.298 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.513 HG22 HG23 ' A' ' 941' ' ' VAL . 10.9 pt -102.49 134.13 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.926 HD11 ' HD3' ' A' ' 942' ' ' ARG . 27.3 pt -138.22 145.88 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.510000000000005 109.29 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -64.3 -174.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 108.262 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -61.16 -51.38 69.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 65.530000000000001 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 14.0 m -56.02 -35.1 66.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 24.530000000000001 108.257 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 112.64 39.4 1.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 41.219999999999999 111.013 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 28.3 tp60 -97.83 119.89 37.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 54.039999999999999 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.811 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -51.65 95.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 75.329999999999998 109.267 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.655 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 6.1 m0 -71.31 -30.68 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 107.972 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 166.82 -122.27 1.04 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 111.018 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.09 153.66 36.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 65.329999999999998 110.333 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.421 ' CE ' ' HB3' ' A' ' 980' ' ' PRO . 20.5 tpp -97.27 90.98 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 73.230000000000004 111.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 954' ' ' TYR . 12.8 mtp -82.65 156.0 24.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 110.975 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.3 t -124.68 148.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 74.439999999999998 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.724 ' HB3' HD11 ' A' ' 979' ' ' LEU . 2.5 t-80 -137.83 104.23 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 64.0 109.584 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 9.0 mmtm 61.91 21.28 12.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.400000000000006 109.259 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 101.22 -2.54 54.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 73.030000000000001 110.974 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 1.6 tt -79.32 166.9 21.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 64.109999999999999 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.731 ' N ' HD23 ' A' ' 977' ' ' LEU . 13.5 p-10 -109.97 115.41 29.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.530000000000001 109.258 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -132.3 96.56 19.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.2 Cg_endo -75.02 117.06 4.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 75.319999999999993 110.981 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.79 103.81 15.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 108.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 0.8 OUTLIER -84.2 169.12 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 64.349999999999994 109.314 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.429 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 22.1 mttt -131.54 121.83 25.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 109.289 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.1 mt -58.57 -21.11 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.049999999999997 109.284 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -71.0 -6.48 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 54.219999999999999 110.292 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 76.9 m-20 -124.13 -1.5 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 71.329999999999998 109.281 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.655 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 27.5 m-85 -121.22 -176.2 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.519999999999996 110.985 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.37 159.09 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.88 114.58 39.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 109.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' A' ' 997' ' ' LYS . 3.0 t -114.06 123.62 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.416 ' CD1' HG22 ' A' ' 903' ' ' ILE . 62.5 m-85 -80.5 139.06 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 62.119999999999997 111.02 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 902' ' ' LEU . 24.9 ttpp -85.96 -36.5 19.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.66 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -41.02 -55.19 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 72.549999999999997 109.301 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.53 155.16 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 74.439999999999998 109.343 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 1.2 p -66.76 87.67 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 73.120000000000005 110.041 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.487 HG22 ' HE3' ' A' ' 998' ' ' LYS . 2.1 m -145.78 153.94 41.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 73.019999999999996 110.44 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.643 ' HB2' HG22 ' A' ' 990' ' ' VAL . 17.7 ttmt -133.75 112.38 11.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 63.439999999999998 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.487 ' HE3' HG22 ' A' ' 996' ' ' THR . 0.1 OUTLIER -106.57 130.29 54.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 73.519999999999996 109.312 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.13 110.83 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 110.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.482 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 96.1 m-85 -102.88 -172.45 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.533 ' CA ' HG22 ' A' ' 984' ' ' ILE . 53.4 pttt -125.69 -48.71 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 60.119999999999997 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.743 ' HB3' HG12 ' A' 1004 ' ' VAL . 21.1 mttm -118.97 157.59 27.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 52.009999999999998 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.723 ' HA ' HD12 ' A' ' 984' ' ' ILE . 20.2 m95 -69.72 -24.97 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 72.409999999999997 107.995 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.743 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.8 p -60.57 -21.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 63.109999999999999 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.73 -26.16 44.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 73.349999999999994 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.884 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -60.29 110.95 3.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 70.430000000000007 109.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.421 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.5 Cg_endo -74.93 -0.89 10.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.768 . . . . 71.219999999999999 111.027 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' 1008 ' ' ILE . 0.9 OUTLIER -93.48 130.73 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 70.25 109.266 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.5 t -66.64 158.61 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 110.41 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.884 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.5 m-85 -129.71 165.74 30.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 63.299999999999997 111.047 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . 0.442 ' O ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.93 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 74.310000000000002 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . 0.475 ' ND2' ' CE ' ' A' ' 925' ' ' LYS . 0.7 OUTLIER -146.79 106.32 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.284 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.904 HD12 ' ND1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -120.75 123.71 43.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.049999999999997 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.401 ' HB2' ' CG ' ' A' 1017 ' ' GLU . 36.3 m-20 -111.52 166.04 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 61.530000000000001 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.696 ' CD2' ' CD2' ' A' ' 974' ' ' HIS . 11.4 m-85 -89.17 -60.14 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 62.240000000000002 111.047 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.3 t -40.03 -29.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 110.034 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' 1015 ' ' TYR . 4.2 mm-40 -38.95 -50.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 51.130000000000003 110.256 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 78.9 m -102.07 161.32 13.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 65.409999999999997 108.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 8.9 p -115.14 25.15 11.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 108.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' 1021 ' ' PHE . 4.0 mt -47.14 -52.11 16.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 75.140000000000001 109.331 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 975' ' ' LYS . 51.4 m-85 -37.25 -34.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 64.200000000000003 111.02 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1021 ' ' PHE . 44.5 t 38.54 45.38 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.120000000000005 109.988 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -40.42 -37.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 74.150000000000006 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -61.89 177.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 110.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 62.329999999999998 109.313 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.986 -0.846 . . . . 42.100000000000001 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 893' ' ' LEU . 18.3 Cg_endo -75.0 -13.45 21.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 74.549999999999997 110.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 892' ' ' PRO . 5.3 mp -40.45 134.28 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 53.340000000000003 109.273 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 133.73 132.33 3.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 62.109999999999999 110.964 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 6.3 p -175.87 177.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 75.109999999999999 109.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 896' ' ' TYR . 4.7 m-30 -51.97 -175.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 75.439999999999998 111.023 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 898' ' ' ASN . 30.1 ttpt -168.46 168.06 11.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.209999999999994 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' 1007 ' ' PRO . 3.8 m120 61.75 52.07 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 109.257 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -145.23 126.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 63.43 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 1.91 7.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 72.010000000000005 111.048 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 29.2 t -85.97 -25.39 26.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 54.530000000000001 110.009 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.977 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -90.54 -25.35 20.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 55.450000000000003 109.274 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.594 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -97.5 157.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 72.5 109.296 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.827 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.5 158.83 44.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 110.379 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 920' ' ' ILE . 5.5 m-30 -100.35 139.23 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 111.047 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.7 OUTLIER -133.25 177.39 7.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 52.549999999999997 109.282 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 47.6 t -89.84 123.73 34.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.978 -1.01 . . . . 53.409999999999997 110.884 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.57 -59.5 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 61.030000000000001 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -46.53 -59.81 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.140000000000001 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.6 m -97.02 -101.14 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 72.420000000000002 108.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.5 OUTLIER 154.46 41.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 33.130000000000003 110.019 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.06 133.72 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 72.519999999999996 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.827 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -62.35 106.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 63.340000000000003 109.287 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -86.33 -35.71 19.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 75.230000000000004 109.359 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -176.74 165.51 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 72.239999999999995 108.302 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 904' ' ' THR . 60.4 p -108.63 157.11 18.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 109.942 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -53.87 -52.29 43.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 51.020000000000003 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.426 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.1 pp20? -55.17 -28.95 56.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 72.310000000000002 110.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.39 28.06 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.230000000000004 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.787 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.0 mm -133.45 150.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 75.239999999999995 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.506 ' CG ' HD12 ' A' 1013 ' ' LEU . 33.5 m80 -114.94 178.66 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 109.608 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 3.1 t -135.44 156.68 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 63.229999999999997 109.31 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.549 HD13 ' O ' ' A' 1013 ' ' LEU . 6.8 mm -131.67 115.19 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 65.519999999999996 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 926' ' ' MET . 68.2 mm-40 51.54 29.05 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 75.140000000000001 110.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.418 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 43.91 27.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 109.289 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.468 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 21.9 ptm -126.6 -41.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 75.519999999999996 111.017 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.468 ' N ' ' CG ' ' A' ' 926' ' ' MET . 28.9 m170 -114.45 134.94 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 75.219999999999999 109.577 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -105.11 110.43 22.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 64.049999999999997 109.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.98 134.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 71.519999999999996 109.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.787 ' OD1' HD13 ' A' ' 920' ' ' ILE . 65.2 t30 -99.45 96.01 7.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 61.43 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 3.1 mtt -83.07 47.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -105.94 127.2 28.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 64.319999999999993 110.442 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.36 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 75.430000000000007 111.027 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.427 ' HG2' HG22 ' A' ' 932' ' ' THR . 5.1 pt-20 -56.1 -34.55 66.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.219999999999999 110.277 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.896 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 64.9 t80 -59.29 -21.52 59.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.239999999999995 110.986 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.595 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 11.1 ptpt -64.62 -16.16 62.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -105.3 5.87 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 110.281 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 935' ' ' PHE . 8.0 mt -113.2 -14.57 12.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.2 OUTLIER -127.65 149.48 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.299999999999997 111.009 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.724 HD11 ' NZ ' ' A' ' 963' ' ' LYS . 1.4 mt -124.09 138.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 64.519999999999996 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 960' ' ' ILE . 2.1 t -104.99 129.25 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 71.420000000000002 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -103.25 143.56 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.46 104.61 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 75.219999999999999 110.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.501 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.5 t30 -154.44 130.13 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.329999999999998 109.243 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -96.63 -8.17 32.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.24 -13.33 36.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 44.009999999999998 109.292 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -102.79 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 33.350000000000001 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.527 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -60.08 162.19 6.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 75.239999999999995 110.297 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 11.4 mtpt -147.47 -175.91 5.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 74.230000000000004 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 952' ' ' ALA . 12.1 mttm -107.52 -76.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.319999999999993 109.276 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 8.5 m -52.03 93.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 65.140000000000001 108.323 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.31 -178.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 109.317 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.57 -26.7 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 52.240000000000002 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -111.26 95.46 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.450000000000003 110.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 973' ' ' VAL . 7.6 tp60 -66.99 141.71 57.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 61.310000000000002 110.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 971' ' ' MET . 1.1 mm -118.15 157.08 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.230000000000004 109.268 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -99.45 -27.08 13.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 72.25 109.312 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.09 -137.52 5.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 34.020000000000003 111.009 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -125.02 135.21 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 73.209999999999994 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.672 HG22 HG23 ' A' ' 941' ' ' VAL . 20.3 pt -93.52 138.18 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 51.420000000000002 109.263 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 967' ' ' ALA . 15.6 pt -138.81 149.4 23.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -67.73 -174.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 108.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.724 ' NZ ' HD11 ' A' ' 940' ' ' ILE . 0.2 OUTLIER -62.55 -51.42 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 70.140000000000001 109.294 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 11.8 m -56.02 -32.7 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 52.32 108.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 109.89 39.68 1.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 71.040000000000006 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 24.0 tp60 -97.35 124.71 41.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 71.109999999999999 110.318 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.745 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -55.28 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.530000000000001 109.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.706 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.3 m0 -67.79 -42.67 81.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.430000000000007 108.03 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 970' ' ' THR . . . 175.62 -118.85 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 72.109999999999999 111.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.7 OUTLIER -153.81 164.1 38.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 0.799 . . . . 60.450000000000003 110.404 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.587 ' HE2' ' HB3' ' A' ' 980' ' ' PRO . 27.6 tpp -109.54 97.09 6.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 15.0 mtp -81.73 153.18 26.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 111.023 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 977' ' ' LEU . 12.8 t -121.39 151.42 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 65.109999999999999 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.796 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.8 92.56 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 109.6 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm 61.08 23.77 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.27 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 108.16 -1.09 33.25 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.464 1.103 . . . . 63.149999999999999 111.0 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 978' ' ' ASP . 1.0 OUTLIER -79.07 167.39 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 0.805 . . . . 73.120000000000005 109.311 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.721 ' H ' HD23 ' A' ' 977' ' ' LEU . 2.4 m-20 -117.87 119.58 35.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 73.239999999999995 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -138.43 96.26 9.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 72.299999999999997 109.315 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.587 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 71.200000000000003 110.963 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . 0.508 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -97.13 111.67 23.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 70.209999999999994 108.309 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.896 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.3 mp -98.5 145.32 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.519999999999996 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.493 ' HB3' ' CG ' ' A' ' 985' ' ' ARG . 0.1 OUTLIER -106.26 126.02 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.230000000000004 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.3 mt -59.15 -26.85 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 73.420000000000002 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.493 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.0 OUTLIER -66.88 -7.61 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 74.319999999999993 110.285 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 79.7 m-20 -117.95 -5.77 11.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 60.399999999999999 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.706 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 26.6 m-85 -121.29 -176.09 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 70.310000000000002 110.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 13.3 t -137.34 162.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.32 109.304 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.8 t -120.73 123.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 43.539999999999999 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 997' ' ' LYS . 1.2 t -115.0 122.57 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.298 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.594 ' CD1' HG22 ' A' ' 903' ' ' ILE . 51.2 m-85 -90.04 117.33 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 72.549999999999997 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -81.51 -17.31 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 73.219999999999999 109.285 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.977 ' ND2' HD22 ' A' ' 902' ' ' LEU . 1.5 m-80 -99.83 -53.56 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 63.229999999999997 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -64.57 -13.36 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 61.119999999999997 109.303 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 996' ' ' THR . 13.4 m 53.24 56.76 7.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 54.130000000000003 109.973 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 997' ' ' LYS . 79.8 m -157.88 173.43 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 45.109999999999999 110.375 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.593 ' HB2' HG22 ' A' ' 990' ' ' VAL . 10.0 ttmt -134.3 113.95 12.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 72.420000000000002 109.291 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.406 ' HE2' HG21 ' A' ' 996' ' ' THR . 1.0 OUTLIER -109.07 169.81 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.530000000000001 109.288 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -136.08 106.96 6.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 72.329999999999998 110.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.48 ' CB ' HG21 ' A' ' 984' ' ' ILE . 74.2 m-85 -95.63 -173.09 2.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 61.5 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 37.5 pttt -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 70.349999999999994 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.695 ' HB3' HG12 ' A' 1004 ' ' VAL . 14.6 mttm -119.97 158.37 26.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.010000000000005 109.332 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.597 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.0 m95 -69.17 -19.84 64.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 108.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.695 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -69.92 -24.85 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 73.310000000000002 109.292 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.03 -18.44 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 74.530000000000001 110.301 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.8 tp -69.71 115.29 31.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 62.109999999999999 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.414 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.02 -1.36 11.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 42.340000000000003 110.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' 1008 ' ' ILE . 1.0 OUTLIER -90.84 133.57 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 61.5 109.279 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.2 t -70.63 152.93 43.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.38 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' 1006 ' ' LEU . 7.2 m-85 -133.18 164.12 46.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.549999999999997 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.43 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 64.310000000000002 110.982 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.62 104.99 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 71.540000000000006 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.549 ' O ' HD13 ' A' ' 923' ' ' ILE . 0.0 OUTLIER -118.62 122.52 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 72.319999999999993 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.459 ' HA ' ' CD1' ' A' ' 923' ' ' ILE . 9.4 t0 -133.96 115.24 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 71.209999999999994 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' 1014 ' ' ASP . 1.2 p90 -36.58 -45.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 64.140000000000001 111.016 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.6 t -39.87 -50.3 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 72.439999999999998 110.008 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -38.97 -47.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 74.030000000000001 110.266 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 50.4 m -97.45 135.36 39.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 35.240000000000002 108.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.717 ' C ' HD23 ' A' 1020 ' ' LEU . 4.9 p -124.79 68.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 73.409999999999997 108.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' 1020 ' ' LEU . 1.5 mt -100.89 -38.86 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 62.240000000000002 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -64.13 -10.8 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 74.329999999999998 111.022 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.43 46.36 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 62.219999999999999 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.86 -16.02 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 64.209999999999994 109.304 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.12 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 71.319999999999993 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.109999999999999 109.336 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.96 -0.856 . . . . 34.130000000000003 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.819 ' C ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -75.03 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 53.420000000000002 110.966 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.819 HD22 ' C ' ' A' ' 892' ' ' PRO . 1.9 mm? -122.51 -175.33 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 62.43 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -148.84 127.38 2.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 35.2 t -173.25 157.21 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 63.149999999999999 110.013 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 54.25 50.54 16.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 74.019999999999996 110.969 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.481 ' O ' HD11 ' A' 1008 ' ' ILE . 6.7 ptpp? -114.15 24.58 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 109.286 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' 1007 ' ' PRO . 11.9 t-20 -93.09 23.67 4.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.329999999999998 109.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.82 129.19 24.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 65.219999999999999 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 918' ' ' GLU . 18.4 Cg_endo -75.03 -0.17 9.65 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 51.210000000000001 110.981 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 2.2 t -84.64 -23.6 29.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 71.430000000000007 110.038 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.677 HD22 ' ND2' ' A' ' 993' ' ' ASN . 0.4 OUTLIER -87.99 -28.86 21.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 72.530000000000001 109.326 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.585 HD13 HG12 ' A' 1008 ' ' ILE . 0.5 OUTLIER -96.47 152.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 71.129999999999995 109.272 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.849 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -145.06 160.02 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 73.109999999999999 110.404 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.2 m-30 -100.79 141.12 34.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 74.310000000000002 110.998 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 905' ' ' PHE . 0.8 OUTLIER -135.65 176.32 8.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 53.3 t -91.37 120.56 32.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.99 -1.004 . . . . 60.229999999999997 110.92 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -51.31 -60.37 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 73.310000000000002 109.285 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -45.65 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 31.399999999999999 109.29 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.58 ' O ' ' CB ' ' A' ' 911' ' ' SER . 71.1 m -97.92 -100.46 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 74.209999999999994 108.259 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 3.3 t 153.15 42.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 70.140000000000001 110.034 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -93.97 130.8 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 42.420000000000002 109.292 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.849 HD21 HG22 ' A' ' 904' ' ' THR . 1.2 tm? -60.69 107.92 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.418 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.84 -34.61 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 60.039999999999999 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 179.78 160.33 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 55.409999999999997 108.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -105.52 157.5 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 63.329999999999998 110.036 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -52.0 -45.52 56.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 72.239999999999995 111.007 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 0.3 OUTLIER -63.05 -28.77 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 0.763 . . . . 61.109999999999999 110.324 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.14 31.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 62.200000000000003 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.55 HD13 ' OD1' ' A' ' 930' ' ' ASN . 2.2 mm -133.57 144.42 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 75.310000000000002 109.363 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.88 ' CG ' HD12 ' A' 1013 ' ' LEU . 71.5 m80 -111.7 148.92 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 75.430000000000007 109.624 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.718 HG22 ' CD2' ' A' ' 928' ' ' HIS . 71.2 t -112.74 163.9 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 73.099999999999994 109.303 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' 1013 ' ' LEU . 6.2 mm -126.04 105.2 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.040000000000006 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 35.7 mm-40 37.84 44.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 75.319999999999993 110.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.522 ' CD ' HG11 ' A' ' 922' ' ' VAL . 10.2 mmtm 39.96 50.57 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 71.219999999999999 109.295 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.479 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 3.8 ptm -133.71 -40.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 111.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.479 ' N ' ' CG ' ' A' ' 926' ' ' MET . 23.1 m80 -135.79 148.04 48.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 72.129999999999995 109.631 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.718 ' CD2' HG22 ' A' ' 922' ' ' VAL . 2.0 t-160 -112.39 105.46 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 64.5 109.581 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 6.2 m -110.73 140.36 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 71.340000000000003 109.261 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.55 ' OD1' HD13 ' A' ' 920' ' ' ILE . 59.0 t30 -99.55 95.42 6.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 9.1 mtt -83.98 47.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 73.400000000000006 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . . . . . . . . . 1.2 m -109.85 126.77 28.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 50.0 110.43 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 74.450000000000003 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.83 -24.89 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 74.209999999999994 110.244 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.706 ' CE1' HD21 ' A' ' 982' ' ' LEU . 67.2 t80 -75.82 -21.46 57.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.540000000000006 111.011 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.605 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 9.2 ptpt -64.67 -14.41 58.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 65.329999999999998 109.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -104.81 5.73 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.010000000000005 110.314 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.598 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 5.4 mt -113.91 -13.46 12.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 65.099999999999994 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.639 ' CD1' ' C ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -124.01 149.3 46.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.040000000000006 110.969 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.93 139.51 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 74.540000000000006 109.272 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 960' ' ' ILE . 2.2 t -108.67 138.68 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 71.519999999999996 109.276 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.471 ' NE ' ' CD1' ' A' ' 961' ' ' ILE . 0.0 OUTLIER -113.28 147.68 37.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 61.200000000000003 110.324 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.32 104.9 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 71.25 110.318 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.509 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.9 t30 -155.87 131.72 9.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 72.209999999999994 109.277 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -96.67 -9.21 29.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -61.7 -14.39 31.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 22.129999999999999 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 947' ' ' LEU . 1.4 mm? -103.67 -76.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.552 ' NE2' HE22 ' A' ' 955' ' ' GLN . 0.0 OUTLIER -54.49 161.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 75.010000000000005 110.269 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 15.2 mttm -146.24 -176.7 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 71.129999999999995 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 952' ' ' ALA . 0.5 OUTLIER -104.23 -78.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 75.129999999999995 109.344 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 42.7 t -51.69 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 108.269 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.4 176.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 5.4199999999999999 109.286 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -106.07 -30.08 9.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 74.310000000000002 109.276 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -107.33 93.3 4.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 973' ' ' VAL . 9.2 tp60 -66.83 133.04 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 75.519999999999996 110.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.55 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.0 OUTLIER -106.0 158.22 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 74.319999999999993 109.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -103.98 -24.58 13.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 63.240000000000002 109.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.95 -140.23 6.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 54.32 110.996 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -120.37 136.08 54.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 74.329999999999998 110.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.704 HG22 HG23 ' A' ' 941' ' ' VAL . 5.9 pt -96.54 134.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 72.019999999999996 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.799 HG22 ' HA ' ' A' ' 967' ' ' ALA . 33.7 pt -136.76 150.95 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 73.219999999999999 109.247 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -68.62 -174.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 72.040000000000006 108.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 963' ' ' LYS . 4.2 mmmm -60.66 -52.03 66.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.77 -38.13 66.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 65.209999999999994 108.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 116.76 30.9 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 45.5 110.982 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 18.4 tp60 -87.02 127.91 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 65.040000000000006 110.282 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.799 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -58.02 94.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 73.040000000000006 109.365 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 938' ' ' LEU . 5.3 m0 -69.81 -44.31 70.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.120000000000005 108.031 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 970' ' ' THR . . . 173.41 -116.45 0.6 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 64.120000000000005 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.472 ' CA ' HG12 ' A' ' 960' ' ' ILE . 0.9 OUTLIER -152.99 166.0 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 63.530000000000001 110.346 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.528 ' O ' HG23 ' A' ' 956' ' ' ILE . 21.1 tpp -112.84 102.35 10.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 64.409999999999997 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 26.3 mtp -84.84 159.54 20.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.030000000000001 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 955' ' ' GLN . 25.4 t -122.77 147.67 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 71.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.938 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -133.75 90.5 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 44.539999999999999 109.554 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 975' ' ' LYS . 3.3 mtmp? 60.92 23.9 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 72.030000000000001 109.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 973' ' ' VAL . . . 109.37 -3.78 31.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 62.310000000000002 110.978 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.877 HD12 ' CE1' ' A' 1021 ' ' PHE . 2.5 tt -79.01 167.34 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 72.540000000000006 109.306 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.732 ' N ' HD23 ' A' ' 977' ' ' LEU . 6.4 p-10 -115.12 118.9 34.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 73.030000000000001 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.938 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.3 OUTLIER -131.28 96.21 22.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 109.293 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.429 ' HB3' ' CE ' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.98 113.75 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.540000000000006 111.045 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . 0.52 ' C ' HD12 ' A' ' 982' ' ' LEU . 1.7 m -96.25 114.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.200000000000003 108.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.706 HD21 ' CE1' ' A' ' 935' ' ' PHE . 1.0 OUTLIER -97.78 157.7 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 71.439999999999998 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 8.2 mttt -118.5 122.33 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.39 -17.74 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 70.439999999999998 109.268 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -72.5 -12.28 61.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.230000000000004 110.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 70.3 m-20 -119.36 -4.26 10.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 62.210000000000001 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.695 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 23.0 m-85 -116.36 -176.05 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 111.04 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 16.1 t -139.16 158.28 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 62.229999999999997 109.292 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.41 119.18 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 72.310000000000002 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.561 ' CG2' ' HZ3' ' A' ' 997' ' ' LYS . 3.0 t -116.5 124.34 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.240000000000002 109.293 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.469 ' CD1' HG22 ' A' ' 903' ' ' ILE . 49.5 m-85 -82.28 137.56 34.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.977 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -85.83 -34.42 21.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 72.099999999999994 109.311 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.677 ' ND2' HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -41.09 -55.42 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 74.349999999999994 109.278 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -139.9 155.9 46.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 109.339 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 2.2 t -61.57 91.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 52.109999999999999 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 2.3 m -148.47 142.89 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 110.382 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.561 ' HZ3' ' CG2' ' A' ' 990' ' ' VAL . 8.4 ttmm -125.46 111.08 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 70.120000000000005 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.82 146.12 30.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 61.219999999999999 109.278 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -124.17 110.52 14.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.230000000000004 110.333 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.477 ' HB2' HG21 ' A' ' 984' ' ' ILE . 93.2 m-85 -102.26 -169.96 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 73.439999999999998 111.012 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.54 ' CA ' HG22 ' A' ' 984' ' ' ILE . 15.3 pttp -125.84 -47.63 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.329999999999998 109.283 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.74 ' HB3' HG12 ' A' 1004 ' ' VAL . 32.3 mttt -121.17 157.88 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.450000000000003 109.267 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.605 ' HA ' HD12 ' A' ' 984' ' ' ILE . 27.6 m95 -69.83 -24.71 63.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 73.299999999999997 108.003 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.74 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.7 p -61.43 -24.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 65.310000000000002 109.235 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -74.14 -26.48 60.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 74.209999999999994 110.333 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.739 HD23 ' CE1' ' A' 1010 ' ' PHE . 7.1 tp -60.27 110.86 3.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 73.319999999999993 109.293 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.2 Cg_endo -75.04 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 74.409999999999997 111.009 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.585 HG12 HD13 ' A' ' 903' ' ' ILE . 0.9 OUTLIER -87.43 139.78 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 73.129999999999995 109.26 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 2.2 t -75.26 158.58 32.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 110.407 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.739 ' CE1' HD23 ' A' 1006 ' ' LEU . 14.0 m-85 -137.96 166.29 27.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . 0.448 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.98 -165.52 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 55.43 111.0 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' 1011 ' ' PRO . 1.1 m-80 -146.19 105.27 3.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 61.240000000000002 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.88 HD12 ' CG ' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -111.23 128.84 56.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 40.210000000000001 109.261 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.88 163.86 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 70.099999999999994 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.661 ' CD1' ' CD2' ' A' ' 974' ' ' HIS . 33.4 m-85 -89.3 -42.62 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 110.994 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.2 -32.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 52.450000000000003 109.998 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.55 -52.92 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.439999999999998 110.307 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 3.6 m -98.57 118.39 35.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 52.030000000000001 108.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.6 ' C ' HD23 ' A' 1020 ' ' LEU . 8.2 t -115.13 46.04 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 65.219999999999999 108.269 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' 1020 ' ' LEU . 0.6 OUTLIER -99.52 -42.99 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 70.099999999999994 109.28 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.877 ' CE1' HD12 ' A' ' 977' ' ' LEU . 13.7 m-85 -37.77 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 71.209999999999994 110.983 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' 1020 ' ' LEU . 13.0 t -40.44 107.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 70.299999999999997 109.964 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -130.48 20.97 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.120000000000005 109.304 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.31 173.05 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 62.32 110.29 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 70.049999999999997 109.328 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.957 -0.857 . . . . 41.340000000000003 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.61 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 70.209999999999994 111.026 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.65 -76.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.140000000000001 109.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 152.25 171.7 20.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 71.129999999999995 111.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 12.9 m -168.2 -174.45 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 73.409999999999997 110.03 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -69.91 -178.92 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 72.540000000000006 111.02 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -156.58 175.78 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 109.3 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.59 31.41 18.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 73.420000000000002 109.308 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -125.14 124.11 25.33 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 73.150000000000006 109.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.546 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.4 Cg_endo -74.97 0.99 8.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 63.520000000000003 110.995 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 27.4 t -86.36 -25.55 25.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 44.530000000000001 110.025 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.857 HD22 HD21 ' A' ' 993' ' ' ASN . 0.4 OUTLIER -90.58 -23.88 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 109.248 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.674 ' CD1' HG21 ' A' 1008 ' ' ILE . 0.4 OUTLIER -98.65 156.49 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.25 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.844 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -148.7 157.88 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.140000000000001 110.363 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 920' ' ' ILE . 6.3 m-30 -100.24 140.25 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 72.530000000000001 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 913' ' ' LEU . 0.6 OUTLIER -133.92 176.34 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 75.030000000000001 109.3 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 49.9 t -88.84 126.34 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.998 -1.001 . . . . 52.219999999999999 110.893 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -55.68 -61.1 2.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 73.010000000000005 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -45.49 -57.34 4.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.222 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 911' ' ' SER . 77.9 m -99.96 -102.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 73.319999999999993 108.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 1.6 m 155.65 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 109.969 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.25 131.28 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 74.129999999999995 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.844 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -59.25 107.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 42.219999999999999 109.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.423 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.77 -35.17 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 65.230000000000004 109.327 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.849 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -179.44 160.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 60.0 108.279 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 904' ' ' THR . 46.7 p -104.26 158.12 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 42.210000000000001 109.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -50.32 -51.92 29.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 54.409999999999997 110.97 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.41 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 4.8 pt-20 -60.42 -25.39 65.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 74.409999999999997 110.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.83 28.18 2.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 63.310000000000002 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.814 HD13 ' OD1' ' A' ' 930' ' ' ASN . 1.8 mm -133.18 148.87 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 75.019999999999996 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.687 ' CE1' HD12 ' A' 1013 ' ' LEU . 18.3 m80 -118.77 156.95 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 63.130000000000003 109.611 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 923' ' ' ILE . 78.0 t -123.02 163.26 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 64.299999999999997 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.612 HD13 ' O ' ' A' 1013 ' ' LEU . 11.6 mm -121.02 108.57 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 75.450000000000003 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 923' ' ' ILE . 18.1 mm-40 37.56 40.96 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 110.34 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp 41.44 51.4 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.567 ' HG3' ' CD2' ' A' ' 927' ' ' HIS . 11.6 ptm -135.81 -40.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 74.319999999999993 110.972 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 926' ' ' MET . 51.1 m-70 -124.14 165.14 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 74.420000000000002 109.585 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.578 ' CG ' ' CD1' ' A' 1003 ' ' TRP . 0.6 OUTLIER -124.56 102.76 7.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 74.109999999999999 109.576 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.54 135.75 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 109.293 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 920' ' ' ILE . 67.2 t30 -101.22 96.08 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 74.120000000000005 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 10.3 mtt -83.49 47.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 71.25 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.849 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.6 OUTLIER -103.96 124.95 35.88 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 70.150000000000006 110.418 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . 0.462 ' O ' ' CE ' ' A' ' 936' ' ' LYS . 18.3 Cg_endo -74.99 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.445 1.76 . . . . 75.209999999999994 111.017 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 932' ' ' THR . 6.2 pt-20 -59.94 -27.18 66.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.420000000000002 110.26 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.918 ' CZ ' HD21 ' A' ' 982' ' ' LEU . 80.5 t80 -70.19 -19.29 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 64.430000000000007 110.963 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 5.2 ptpt -65.68 -17.23 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 63.229999999999997 109.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -104.9 4.33 31.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 63.32 110.315 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.553 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 18.6 mt -109.0 -12.52 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 74.319999999999993 109.264 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.68 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -126.5 148.98 49.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.25 111.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.505 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.7 mt -125.47 135.94 62.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 65.299999999999997 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.68 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -98.35 127.5 50.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 109.272 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.0 OUTLIER -105.66 121.55 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 110.329 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -42.85 104.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 60.509999999999998 110.341 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.46 HD21 ' HB3' ' A' ' 946' ' ' ALA . 1.7 t30 -154.74 115.88 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.310000000000002 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -90.25 -7.48 53.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 63.140000000000001 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' A' ' 944' ' ' ASN . . . -66.43 -10.07 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 74.109999999999999 109.289 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 947' ' ' LEU . 1.2 mm? -105.3 -59.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 70.239999999999995 109.286 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -74.88 146.03 42.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 51.109999999999999 110.272 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.593 ' N ' HE21 ' A' ' 948' ' ' GLN . 7.6 mmmm -136.81 -175.47 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 62.149999999999999 109.319 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 952' ' ' ALA . 27.3 mttt -105.14 -77.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 72.409999999999997 109.302 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 17.2 p -49.38 96.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.019999999999996 108.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -178.25 -176.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 64.409999999999997 109.286 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -110.86 -27.5 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 73.109999999999999 109.235 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.95 96.27 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 63.340000000000003 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 973' ' ' VAL . 19.7 tp60 -67.32 131.31 45.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.439999999999998 110.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.52 ' HB ' ' CB ' ' A' ' 948' ' ' GLN . 1.2 mm -107.08 158.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 71.319999999999993 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -104.18 -24.71 13.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 65.219999999999999 109.312 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 163.15 -142.33 7.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 110.971 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 967' ' ' ALA . 7.3 tt0 -122.39 134.9 54.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 0.798 . . . . 64.140000000000001 110.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 939' ' ' TYR . 7.0 pt -95.34 130.09 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 55.530000000000001 109.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' A' ' 967' ' ' ALA . 25.7 pt -132.59 148.52 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 62.420000000000002 109.263 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -65.84 -174.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 60.310000000000002 108.281 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 940' ' ' ILE . 4.2 mmmm -59.48 -51.98 67.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 64.040000000000006 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.74 -38.02 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 71.310000000000002 108.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 117.03 32.55 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 968' ' ' TRP . 27.8 tp60 -88.73 122.48 32.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 65.120000000000005 110.235 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.793 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -54.34 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 61.310000000000002 109.254 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.702 ' CG ' ' CZ ' ' A' ' 987' ' ' PHE . 5.4 m0 -66.33 -42.97 87.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 72.319999999999993 108.025 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 970' ' ' THR . . . 176.65 -117.33 0.59 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 62.200000000000003 110.983 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 969' ' ' GLY . 0.8 OUTLIER -154.84 161.73 41.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 71.040000000000006 110.399 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 956' ' ' ILE . 26.1 tpp -105.45 94.78 5.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 44.43 111.014 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 10.1 mtp -81.89 155.24 25.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 111.003 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 977' ' ' LEU . 14.8 t -127.64 148.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 74.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 979' ' ' LEU . 0.0 OUTLIER -136.57 102.09 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 109.628 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.22 22.59 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.519999999999996 109.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 102.84 1.7 49.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 53.200000000000003 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.868 ' O ' HG13 ' A' ' 973' ' ' VAL . 11.1 tp -79.38 166.64 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 72.140000000000001 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -114.95 115.48 26.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 63.340000000000003 109.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 974' ' ' HIS . 0.0 OUTLIER -137.25 96.58 11.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 109.269 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.418 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -75.01 120.21 5.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 70.409999999999997 111.034 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 983' ' ' LYS . 1.7 m -97.8 112.75 24.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.299999999999997 108.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.918 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.2 mp -99.93 145.54 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 53.399999999999999 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 981' ' ' CYS . 0.3 OUTLIER -107.75 126.63 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 73.040000000000006 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.6 mt -58.71 -28.05 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 62.439999999999998 109.329 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.498 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 1.5 ptt-85 -64.6 -8.67 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.6 m-20 -117.77 -3.35 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.140000000000001 109.274 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.702 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 28.5 m-85 -123.82 -176.27 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 111.049 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . 0.402 HG22 HE21 ' A' ' 999' ' ' GLN . 11.3 t -138.79 162.33 28.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.125 . . . . 71.040000000000006 109.315 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' 1006 ' ' LEU . 3.1 t -119.3 129.3 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 73.209999999999994 109.319 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 997' ' ' LYS . 0.9 OUTLIER -121.1 119.29 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 63.329999999999998 109.37 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 903' ' ' ILE . 72.6 m-85 -89.42 124.83 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 72.140000000000001 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -86.55 -11.69 50.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 73.099999999999994 109.321 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.857 HD21 HD22 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -99.33 -56.22 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.319 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -65.97 -13.35 59.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 109.311 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 58.0 m 54.36 52.14 13.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.641 HG21 ' HE3' ' A' ' 998' ' ' LYS . 55.7 m -152.44 174.73 13.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 35.439999999999998 110.401 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.677 ' HB2' HG22 ' A' ' 990' ' ' VAL . 7.2 ttmt -134.19 115.52 14.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 75.510000000000005 109.278 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 996' ' ' THR . 2.1 mptm? -107.68 163.99 12.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 64.209999999999994 109.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . 0.402 HE21 HG22 ' A' ' 988' ' ' VAL . 11.1 tt0 -128.82 108.92 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 70.200000000000003 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.471 ' CB ' HG21 ' A' ' 984' ' ' ILE . 87.9 m-85 -99.68 -173.21 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.319999999999993 111.013 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.534 ' CA ' HG22 ' A' ' 984' ' ' ILE . 39.1 pttt -125.12 -49.89 1.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 72.319999999999993 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.657 ' HB3' HG12 ' A' 1004 ' ' VAL . 53.9 mttt -118.54 158.91 24.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 73.329999999999998 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.664 ' HA ' HD12 ' A' ' 984' ' ' ILE . 33.8 m95 -70.06 -21.37 63.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.027 -1.101 . . . . 75.409999999999997 108.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.657 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.2 p -67.46 -26.12 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 60.049999999999997 109.274 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.109999999999999 110.278 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.9 tp -71.48 113.96 24.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 75.25 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 51.109999999999999 110.986 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.674 HG21 ' CD1' ' A' ' 903' ' ' ILE . 0.9 OUTLIER -91.13 131.11 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 63.439999999999998 109.279 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.4 t -65.54 157.92 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 71.439999999999998 110.395 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.761 ' CE1' HD23 ' A' 1006 ' ' LEU . 19.3 m-85 -134.66 161.39 63.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . 0.442 ' C ' ' ND2' ' A' 1012 ' ' ASN . 18.3 Cg_endo -74.95 -168.65 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 74.540000000000006 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' 1011 ' ' PRO . 2.5 m-80 -147.42 104.46 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.687 HD12 ' CE1' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -119.58 122.54 41.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 63.43 109.315 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' 1015 ' ' TYR . 10.1 t0 -128.51 115.16 17.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 63.109999999999999 109.312 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.488 ' CD1' ' NE2' ' A' ' 974' ' ' HIS . 1.2 p90 -36.45 -45.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 74.340000000000003 110.99 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1015 ' ' TYR . 1.9 t -39.22 -50.65 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 65.530000000000001 109.956 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -38.8 -47.36 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 71.219999999999999 110.306 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 99.0 m -105.86 119.04 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 71.319999999999993 108.331 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.642 ' C ' HD23 ' A' 1020 ' ' LEU . 84.1 m -99.47 73.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 72.430000000000007 108.282 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.642 HD23 ' C ' ' A' 1019 ' ' CYS . 4.0 mt -105.46 -38.52 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 72.420000000000002 109.249 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 977' ' ' LEU . 4.4 m-85 -76.33 0.85 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 71.340000000000003 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.42 46.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.510000000000005 110.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -109.0 -25.04 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 74.430000000000007 109.283 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -51.36 169.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 44.32 110.244 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 72.409999999999997 109.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . 0.551 ' C ' HD22 ' A' ' 893' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 74.219999999999999 110.996 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.462 ' N ' HD22 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -74.99 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.787 . . . . 72.310000000000002 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.551 HD22 ' C ' ' A' ' 891' ' ' GLY . 0.2 OUTLIER 48.82 50.04 18.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 74.230000000000004 109.284 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -129.85 141.47 12.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 64.430000000000007 110.982 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 46.5 t -129.32 -75.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 65.319999999999993 109.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.29 169.92 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 73.420000000000002 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -146.84 -178.31 6.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 52.549999999999997 109.337 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' 1007 ' ' PRO . 26.0 t-20 61.24 20.49 11.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 73.439999999999998 109.309 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.73 126.31 30.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 74.549999999999997 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.553 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.5 Cg_endo -74.9 -0.3 9.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 54.420000000000002 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 5.1 t -83.04 -27.18 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 109.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.633 HD13 ' ND2' ' A' ' 993' ' ' ASN . 0.5 OUTLIER -86.93 -23.68 25.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.409999999999997 109.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 900' ' ' PRO . 0.4 OUTLIER -101.02 155.54 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 61.340000000000003 109.297 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -147.11 160.01 42.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 64.049999999999997 110.381 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.4 m-30 -100.08 139.6 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.150000000000006 111.017 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 990' ' ' VAL . 1.0 OUTLIER -134.0 176.47 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 109.341 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.9 t -91.71 122.1 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 74.519999999999996 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -53.14 -58.47 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 74.420000000000002 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -47.37 -58.42 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 72.030000000000001 109.324 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.581 ' O ' ' CB ' ' A' ' 911' ' ' SER . 73.3 m -98.45 -100.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 45.229999999999997 108.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 0.7 OUTLIER 153.55 42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 55.219999999999999 110.004 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.54 135.24 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 52.329999999999998 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -64.95 106.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 63.420000000000002 109.27 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 913' ' ' LEU . . . -87.41 -34.8 18.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 35.200000000000003 109.32 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . 0.998 ' SG ' HG21 ' A' ' 932' ' ' THR . 1.0 OUTLIER -178.87 161.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 53.229999999999997 108.266 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.652 ' CB ' HG23 ' A' ' 904' ' ' THR . 6.0 t -106.24 161.64 14.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 73.519999999999996 109.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -55.15 -50.12 60.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 53.299999999999997 110.974 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.423 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -58.31 -23.49 56.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 62.310000000000002 110.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.2 27.87 3.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 905' ' ' PHE . 1.9 mm -132.94 156.73 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' 1013 ' ' LEU . 0.4 OUTLIER -119.5 -179.31 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 53.299999999999997 109.635 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' 1013 ' ' LEU . 40.5 t -140.95 149.17 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 63.130000000000003 109.29 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.517 HD12 ' CE2' ' A' 1015 ' ' TYR . 2.1 mm -117.08 112.36 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 72.099999999999994 109.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 925' ' ' LYS . 11.3 mm-40 42.88 38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 110.286 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 925' ' ' LYS . 0.1 OUTLIER 38.98 45.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 65.519999999999996 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.485 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 9.8 ptm -133.85 -40.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 73.239999999999995 110.965 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.485 ' N ' ' CG ' ' A' ' 926' ' ' MET . 34.2 m80 -124.58 142.3 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 109.596 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' 1003 ' ' TRP . 57.5 m-70 -101.4 98.45 8.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 74.239999999999995 109.645 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 3.2 m -99.35 132.0 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 74.200000000000003 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -94.29 95.73 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 51.030000000000001 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . 0.495 ' HE3' HD22 ' A' 1013 ' ' LEU . 4.7 mmt -83.49 47.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 61.030000000000001 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.998 HG21 ' SG ' ' A' ' 915' ' ' CYS . 0.5 OUTLIER -106.86 122.3 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 51.229999999999997 110.389 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.73 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 63.229999999999997 111.015 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.88 -33.84 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.030000000000001 110.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 938' ' ' LEU . 73.8 t80 -60.05 -20.42 57.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 71.310000000000002 111.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.59 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 8.3 ptpt -66.04 -14.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 54.530000000000001 109.294 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -105.01 4.57 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 74.340000000000003 110.258 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 935' ' ' PHE . 11.3 mt -109.68 -20.32 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 63.240000000000002 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.749 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -118.27 151.01 38.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 70.439999999999998 111.006 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . . . . . . . . . 1.6 mt -127.62 136.21 61.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 73.099999999999994 109.295 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.749 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.2 t -94.08 131.86 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 71.120000000000005 109.327 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.721 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.4 OUTLIER -110.04 119.69 40.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 64.209999999999994 110.294 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.87 104.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 110.274 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.512 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 1.5 t30 -156.28 115.4 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 109.304 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -86.61 -8.75 57.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 75.200000000000003 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.512 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -62.25 -14.44 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 63.509999999999998 109.299 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.5 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.6 mm? -104.67 -60.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 62.130000000000003 109.255 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.595 HE21 ' N ' ' A' ' 949' ' ' LYS . 0.0 OUTLIER -75.55 146.91 40.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 72.439999999999998 110.262 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.595 ' N ' HE21 ' A' ' 948' ' ' GLN . 52.4 mtpt -136.91 -179.02 5.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 54.329999999999998 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 952' ' ' ALA . 0.2 OUTLIER -102.35 -78.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 74.430000000000007 109.311 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 43.9 t -50.08 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 53.350000000000001 108.338 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 950' ' ' LYS . . . -176.41 -177.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 73.510000000000005 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 60.119999999999997 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -110.28 95.27 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.209999999999994 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 973' ' ' VAL . 36.6 tp60 -66.99 131.05 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 75.439999999999998 110.267 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -112.18 157.6 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 72.150000000000006 109.268 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . 0.426 ' ND2' HG21 ' A' ' 973' ' ' VAL . 19.6 m-80 -101.55 -25.88 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 109.335 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 160.54 -138.26 5.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.97 130.64 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 72.420000000000002 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.494 HG22 ' CE1' ' A' ' 939' ' ' TYR . 13.1 pt -88.02 129.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.826 HG22 ' HA ' ' A' ' 967' ' ' ALA . 30.3 pt -132.45 144.86 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 73.430000000000007 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 0.8 OUTLIER -63.39 -175.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 60.32 108.284 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -61.76 -51.14 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 63.119999999999997 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 10.1 m -55.45 -35.2 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 64.140000000000001 108.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 113.47 37.17 1.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 51.329999999999998 110.967 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 30.0 tp60 -96.56 121.43 38.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 64.340000000000003 110.345 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -53.8 95.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 63.219999999999999 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 6.0 m0 -69.38 -36.8 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 74.010000000000005 107.994 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . 171.4 -126.6 1.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 111.0 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.82 150.48 34.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 72.150000000000006 110.37 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 956' ' ' ILE . 22.4 tpp -97.04 95.94 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 63.119999999999997 110.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 17.5 mtp -81.92 153.39 26.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 72.530000000000001 111.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 977' ' ' LEU . 3.6 t -132.06 138.98 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.439999999999998 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 975' ' ' LYS . 1.9 t-80 -126.39 100.32 6.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 71.150000000000006 109.575 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 974' ' ' HIS . 2.2 mtmp? 60.28 22.56 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.322 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.33 37.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 73.450000000000003 110.968 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.897 ' O ' HG13 ' A' ' 973' ' ' VAL . 15.4 tp -79.8 166.54 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 63.439999999999998 109.352 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -121.36 105.6 10.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 61.409999999999997 109.256 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 977' ' ' LEU . 0.2 OUTLIER -133.07 96.81 17.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.209999999999994 109.296 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.421 ' HB3' ' HE2' ' A' ' 971' ' ' MET . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.777 . . . . 75.209999999999994 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -97.06 106.52 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.219999999999999 108.302 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 935' ' ' PHE . 1.1 mp -89.01 165.67 14.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.3 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.424 ' HB2' ' ND2' ' A' ' 986' ' ' ASN . 14.2 mttt -125.31 121.88 35.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 70.200000000000003 109.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' 1003 ' ' TRP . 1.4 mt -60.41 -17.21 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.351 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.14 -11.84 60.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 51.140000000000001 110.305 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 967' ' ' ALA . 77.1 m-20 -118.45 -2.97 10.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 74.049999999999997 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 982' ' ' LEU . 25.6 m-85 -118.15 -176.66 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.099999999999994 111.037 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 22.1 t -138.97 158.91 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 71.25 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.422 HG11 HD11 ' A' 1006 ' ' LEU . 3.0 t -122.73 119.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.510000000000005 109.238 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.498 HG22 ' HB2' ' A' ' 997' ' ' LYS . 2.3 t -114.92 122.31 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 72.450000000000003 109.276 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.549 ' CD1' HG22 ' A' ' 903' ' ' ILE . 42.1 m-85 -83.46 135.64 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 111.017 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -85.35 -40.31 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 74.409999999999997 109.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.633 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.9 OUTLIER -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 64.200000000000003 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -128.9 149.3 50.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 52.240000000000002 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . 0.405 ' C ' ' OG1' ' A' ' 996' ' ' THR . 1.2 m -68.39 92.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 62.32 110.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . 0.446 ' CG2' ' HE3' ' A' ' 998' ' ' LYS . 7.5 m -156.39 160.8 39.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 74.230000000000004 110.426 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . 0.498 ' HB2' HG22 ' A' ' 990' ' ' VAL . 5.3 ttpp -133.74 116.3 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 72.510000000000005 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . 0.446 ' HE3' ' CG2' ' A' ' 996' ' ' THR . 0.1 OUTLIER -107.35 129.19 54.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.409999999999997 109.297 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -106.81 111.23 23.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 73.439999999999998 110.356 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 984' ' ' ILE . 93.5 m-85 -101.79 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 74.450000000000003 111.012 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.514 ' CA ' HG22 ' A' ' 984' ' ' ILE . 7.5 pttt -128.86 -46.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 64.230000000000004 109.315 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.486 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.1 OUTLIER -120.37 156.97 30.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 52.340000000000003 109.316 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.641 ' HA ' HD12 ' A' ' 984' ' ' ILE . 38.3 m95 -68.56 -25.13 64.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.968 -1.123 . . . . 74.430000000000007 107.968 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.486 HG12 ' HB3' ' A' 1002 ' ' LYS . 1.9 p -63.02 -31.65 53.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 74.340000000000003 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.24 -21.84 65.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 72.219999999999999 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' 1010 ' ' PHE . 6.5 tp -71.34 113.76 22.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 52.109999999999999 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.477 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -74.98 -0.14 9.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 63.039999999999999 110.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.79 132.54 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 75.209999999999994 109.313 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -73.89 139.7 45.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 71.400000000000006 110.389 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' 1006 ' ' LEU . 15.6 m-85 -110.31 165.9 11.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 71.010000000000005 111.018 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -168.86 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 64.109999999999999 110.965 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -149.52 97.0 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 109.265 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.579 ' HB3' ' CD2' ' A' ' 921' ' ' HIS . 0.2 OUTLIER -76.77 -169.88 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 62.329999999999998 109.32 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.68 113.51 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 72.120000000000005 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.517 ' CE2' HD12 ' A' ' 923' ' ' ILE . 3.3 m-85 -38.1 -49.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.540000000000006 111.03 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.5 t -42.69 -46.73 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 24.100000000000001 109.977 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -39.23 -47.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 75.140000000000001 110.311 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 8.5 m -64.03 121.19 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 65.439999999999998 108.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . . . . . . . . . 4.5 m -120.51 44.68 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 62.200000000000003 108.275 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' 1020 ' ' LEU . 2.3 mt -86.91 -40.28 14.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 72.019999999999996 109.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.479 ' CZ ' ' CE1' ' A' ' 974' ' ' HIS . 14.4 m-85 -38.38 -29.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 75.129999999999995 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1020 ' ' LEU . 7.5 t -54.63 102.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 44.439999999999998 110.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -41.87 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 52.100000000000001 109.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -54.94 156.7 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 70.230000000000004 109.342 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.017 -0.833 . . . . 71.150000000000006 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' PRO . . . . . 0.485 ' C ' HD12 ' A' ' 893' ' ' LEU . 18.2 Cg_endo -74.99 178.4 7.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 73.120000000000005 111.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 892' ' ' PRO . 5.3 mp -147.58 179.81 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 72.120000000000005 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . -179.62 158.03 21.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.432 1.083 . . . . 44.450000000000003 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 895' ' ' SER . . . . . . . . . . . . . 56.8 m -100.15 -73.92 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 0.731 . . . . 73.019999999999996 110.015 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 896' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -122.29 158.99 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 897' ' ' LYS . . . . . 0.521 ' HG2' ' CE1' ' A' ' 991' ' ' PHE . 13.2 ttmt -132.47 20.8 4.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 61.539999999999999 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 898' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' 1007 ' ' PRO . 27.8 t-20 -91.52 20.21 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 51.439999999999998 109.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 899' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -106.49 127.0 29.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 71.230000000000004 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 900' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 903' ' ' ILE . 18.3 Cg_endo -75.04 0.34 9.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 71.109999999999999 111.023 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' SER . . . . . . . . . . . . . 3.6 t -84.57 -25.43 28.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 71.329999999999998 109.993 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' LEU . . . . . 0.661 HD13 ' ND2' ' A' ' 993' ' ' ASN . 0.7 OUTLIER -88.6 -22.96 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 63.450000000000003 109.306 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 903' ' ' ILE . . . . . 0.673 HG22 ' CD1' ' A' ' 991' ' ' PHE . 0.4 OUTLIER -102.29 150.63 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 904' ' ' THR . . . . . 0.859 HG22 HD21 ' A' ' 913' ' ' LEU . 0.2 OUTLIER -142.29 162.51 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 51.409999999999997 110.415 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 905' ' ' PHE . . . . . 0.524 ' CE2' HG13 ' A' ' 920' ' ' ILE . 7.7 m-30 -99.06 140.86 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.299999999999997 110.964 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.612 HD11 ' CG2' ' A' ' 990' ' ' VAL . 0.8 OUTLIER -134.55 171.77 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 74.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 962' ' ' CYS . 52.6 t -89.79 119.47 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.98 -1.009 . . . . 53.140000000000001 110.892 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -50.75 -56.5 11.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.299999999999997 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.01 -58.72 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 72.409999999999997 109.275 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 911' ' ' SER . 76.0 m -99.71 -102.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 45.530000000000001 108.238 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 910' ' ' CYS . 4.9 t 157.71 41.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 65.450000000000003 110.013 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 912' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.27 134.76 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 74.400000000000006 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.859 HD21 HG22 ' A' ' 904' ' ' THR . 1.1 tm? -65.62 107.82 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 74.319999999999993 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 914' ' ' ALA . . . . . 0.464 ' HB3' ' HE2' ' A' ' 987' ' ' PHE . . . -87.24 -35.61 18.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.219999999999999 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 915' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.97 163.87 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 51.299999999999997 108.304 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.614 ' CB ' HG23 ' A' ' 904' ' ' THR . 0.7 OUTLIER -108.05 157.64 18.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 75.140000000000001 110.022 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 917' ' ' GLY . . . . . . . . . . . . . . . -54.33 -47.89 66.62 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.442 1.089 . . . . 54.43 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.421 ' N ' ' HB2' ' A' ' 900' ' ' PRO . 2.9 pp20? -60.51 -22.68 63.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 74.430000000000007 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 919' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -97.63 31.1 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 43.219999999999999 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 920' ' ' ILE . . . . . 0.77 HD13 ' OD1' ' A' ' 930' ' ' ASN . 3.1 mm -133.5 155.75 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 921' ' ' HIS . . . . . 0.788 ' CD2' HD12 ' A' 1013 ' ' LEU . 56.0 m80 -118.06 164.08 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 109.582 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 922' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 925' ' ' LYS . 4.0 t -119.92 149.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.129999999999995 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 923' ' ' ILE . . . . . 0.604 HD11 ' CE1' ' A' 1015 ' ' TYR . 5.6 mm -126.76 113.66 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 73.340000000000003 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 924' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 52.22 23.78 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 71.200000000000003 110.292 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 922' ' ' VAL . 0.0 OUTLIER 47.73 27.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 109.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 926' ' ' MET . . . . . 0.413 ' CG ' ' N ' ' A' ' 927' ' ' HIS . 19.2 ptm -121.64 -37.65 2.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 75.040000000000006 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 927' ' ' HIS . . . . . 0.413 ' N ' ' CG ' ' A' ' 926' ' ' MET . 19.2 m80 -118.02 159.82 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.349999999999994 109.605 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 928' ' ' HIS . . . . . 0.696 ' CE1' HG21 ' A' ' 920' ' ' ILE . 0.5 OUTLIER -123.28 106.9 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.099999999999994 109.602 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 929' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.73 138.96 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 72.420000000000002 109.273 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 930' ' ' ASN . . . . . 0.77 ' OD1' HD13 ' A' ' 920' ' ' ILE . 60.0 t30 -105.12 95.96 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 72.010000000000005 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 931' ' ' MET . . . . . . . . . . . . . 2.0 mtt -82.89 47.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 62.109999999999999 111.026 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 932' ' ' THR . . . . . 0.639 HG22 ' HG2' ' A' ' 934' ' ' GLU . 0.6 OUTLIER -106.39 125.13 33.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 61.539999999999999 110.391 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 933' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.28 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.8 . . . . 65.409999999999997 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 934' ' ' GLU . . . . . 0.639 ' HG2' HG22 ' A' ' 932' ' ' THR . 4.5 pt-20 -56.41 -27.29 56.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 110.314 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 935' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 982' ' ' LEU . 33.2 t80 -65.01 -24.67 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.230000000000004 111.01 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.549 ' HA ' ' CE2' ' A' ' 939' ' ' TYR . 10.6 ptpt -63.8 -15.74 59.5 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 71.019999999999996 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -105.12 2.4 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.530000000000001 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.425 ' O ' ' CH2' ' A' ' 968' ' ' TRP . 15.6 mt -111.17 -20.33 12.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.010000000000005 109.279 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 941' ' ' VAL . 0.2 OUTLIER -123.32 150.21 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 62.219999999999999 110.977 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 940' ' ' ILE . . . . . 0.671 HD11 ' HE2' ' A' ' 963' ' ' LYS . 1.6 mt -126.04 137.1 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 64.019999999999996 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 941' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 939' ' ' TYR . 2.3 t -96.27 134.62 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 73.129999999999995 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.638 ' CD ' HD11 ' A' ' 961' ' ' ILE . 0.3 OUTLIER -110.58 122.41 47.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 64.430000000000007 110.337 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -49.72 104.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 53.240000000000002 110.262 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . 0.512 ' OD1' ' HB3' ' A' ' 946' ' ' ALA . 3.7 t30 -153.4 130.34 10.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 65.109999999999999 109.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.408 ' CB ' ' NZ ' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -96.65 -7.91 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.200000000000003 109.26 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.512 ' HB3' ' OD1' ' A' ' 944' ' ' ASN . . . -63.11 -13.66 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 64.299999999999997 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 947' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 944' ' ' ASN . 1.8 mm? -103.39 -77.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 73.400000000000006 109.251 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 948' ' ' GLN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 956' ' ' ILE . 0.0 OUTLIER -56.7 161.18 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 64.349999999999994 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 949' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 948' ' ' GLN . 18.2 mttp -147.11 -176.09 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 73.409999999999997 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 950' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -96.73 67.04 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 62.439999999999998 109.37 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 951' ' ' CYS . . . . . . . . . . . . . 6.7 p -110.45 167.57 10.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 63.450000000000003 108.259 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -122.84 0.21 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 63.329999999999998 109.283 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 954' ' ' TYR . 1.1 m-20 -89.87 -23.79 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 954' ' ' TYR . . . . . 0.55 ' CG ' ' O ' ' A' ' 953' ' ' ASP . 5.0 m-85 -175.33 100.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 111.045 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 955' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 973' ' ' VAL . 15.5 tm0? -77.28 139.25 39.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 75.310000000000002 110.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 956' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 971' ' ' MET . 1.2 mm -118.33 155.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' ASN . . . . . 0.416 ' HB2' ' CG ' ' A' ' 971' ' ' MET . 1.0 OUTLIER -99.71 -26.58 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 72.310000000000002 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 158.61 -137.77 5.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 41.520000000000003 111.046 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -125.51 129.82 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 61.439999999999998 110.323 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' ILE . . . . . 0.474 ' CD1' ' CD1' ' A' ' 982' ' ' LEU . 5.8 pt -86.48 136.74 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 71.430000000000007 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' ILE . . . . . 0.788 HG22 ' HA ' ' A' ' 967' ' ' ALA . 22.6 pt -137.16 145.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 61.420000000000002 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' CYS . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 968' ' ' TRP . 1.3 p -62.04 -174.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 70.25 108.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' LYS . . . . . 0.671 ' HE2' HD11 ' A' ' 940' ' ' ILE . 2.3 mmmm -59.11 -51.63 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.324 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' CYS . . . . . . . . . . . . . 7.0 m -55.77 -40.14 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 108.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . 119.23 31.88 1.34 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.553 1.158 . . . . 73.340000000000003 110.973 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 961' ' ' ILE . 20.7 tp60 -90.2 121.74 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 54.299999999999997 110.335 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' ALA . . . . . 0.788 ' HA ' HG22 ' A' ' 961' ' ' ILE . . . -50.63 98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 54.340000000000003 109.324 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 962' ' ' CYS . 3.9 m0 -73.73 -36.89 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 71.099999999999994 108.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . 0.683 ' C ' ' HZ1' ' A' ' 983' ' ' LYS . . . 174.28 -126.94 1.25 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 61.310000000000002 110.991 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' THR . . . . . 0.568 HG23 ' NZ ' ' A' ' 983' ' ' LYS . 0.7 OUTLIER -146.68 152.88 39.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 64.099999999999994 110.42 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' MET . . . . . 0.558 ' O ' HG23 ' A' ' 956' ' ' ILE . 18.3 tpp -97.39 92.54 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 75.140000000000001 111.022 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' MET . . . . . . . . . . . . . 18.2 mtp -81.82 149.19 28.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.430000000000007 111.0 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 977' ' ' LEU . 6.4 t -123.2 150.47 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 70.140000000000001 109.291 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' HIS . . . . . 0.462 ' CD2' ' CD2' ' A' 1015 ' ' TYR . 3.5 t-80 -140.1 101.53 4.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 73.510000000000005 109.641 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' LYS . . . . . 0.412 ' HB2' ' HZ2' ' A' ' 975' ' ' LYS . 5.2 mtmp? 60.65 24.66 14.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 64.540000000000006 109.298 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . 100.13 -0.21 56.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 33.210000000000001 110.975 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.799 ' O ' HG13 ' A' ' 973' ' ' VAL . 0.8 OUTLIER -79.35 164.13 24.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 71.239999999999995 109.276 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . 0.788 ' N ' HD13 ' A' ' 977' ' ' LEU . 1.0 OUTLIER -112.68 119.78 39.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 62.229999999999997 109.287 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.639 ' CD2' ' CZ ' ' A' 1015 ' ' TYR . 0.0 OUTLIER -140.21 96.41 8.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 109.276 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.96 8.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 75.329999999999998 111.05 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.07 103.79 13.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 75.439999999999998 108.272 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 935' ' ' PHE . 0.4 OUTLIER -76.9 164.64 25.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 109.313 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' LYS . . . . . 0.683 ' HZ1' ' C ' ' A' ' 969' ' ' GLY . 24.0 mttt -129.65 117.21 20.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 65.010000000000005 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' 1003 ' ' TRP . 2.5 mt -58.12 -23.3 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 54.32 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 983' ' ' LYS . 0.1 OUTLIER -69.97 -5.94 29.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 110.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 967' ' ' ALA . 69.6 m-20 -128.13 2.42 5.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' PHE . . . . . 0.563 ' CZ ' ' CG ' ' A' ' 968' ' ' TRP . 16.7 m-85 -123.0 -175.87 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 70.209999999999994 110.982 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' VAL . . . . . . . . . . . . . 21.2 t -138.57 159.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 42.340000000000003 109.297 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' 1000 ' ' TYR . 2.5 t -122.89 119.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 60.219999999999999 109.316 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.612 ' CG2' HD11 ' A' ' 906' ' ' LEU . 2.2 t -117.84 119.87 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.140000000000001 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' PHE . . . . . 0.673 ' CD1' HG22 ' A' ' 903' ' ' ILE . 45.1 m-85 -81.69 136.93 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.420000000000002 111.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -85.94 -39.76 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 53.119999999999997 109.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' ASN . . . . . 0.661 ' ND2' HD13 ' A' ' 902' ' ' LEU . 0.8 OUTLIER -40.77 -55.57 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.430000000000007 109.306 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.44 139.22 50.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 72.230000000000004 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' SER . . . . . . . . . . . . . 1.4 m -58.11 93.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 73.099999999999994 110.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' THR . . . . . . . . . . . . . 8.8 m -150.11 155.14 39.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 65.239999999999995 110.361 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 108.83 9.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 62.119999999999997 109.236 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.02 159.44 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 72.129999999999995 109.269 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 999' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -134.64 108.08 7.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 61.450000000000003 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1000 ' ' TYR . . . . . 0.513 ' CD1' HG21 ' A' ' 989' ' ' VAL . 39.8 m-85 -95.79 -176.11 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 72.109999999999999 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' LYS . . . . . 0.508 ' CA ' HG22 ' A' ' 984' ' ' ILE . 1.7 pttm -120.23 -49.16 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 70.430000000000007 109.245 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' LYS . . . . . 0.514 ' HB3' HG12 ' A' 1004 ' ' VAL . 0.0 OUTLIER -119.29 158.83 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.409999999999997 109.312 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 984' ' ' ILE . 56.3 m95 -70.75 -18.77 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.340000000000003 107.968 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' 1002 ' ' LYS . 2.3 p -70.53 -30.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 74.209999999999994 109.284 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -66.34 -23.92 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 65.400000000000006 110.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' 1006 ' ' LEU . 7.5 tp -68.3 113.07 13.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 109.293 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1007 ' ' PRO . . . . . 0.486 ' O ' ' ND2' ' A' ' 898' ' ' ASN . 18.3 Cg_endo -75.01 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 65.540000000000006 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1008 ' ' ILE . . . . . 0.513 HG12 HD13 ' A' ' 903' ' ' ILE . 1.0 OUTLIER -86.61 131.51 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 75.519999999999996 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1009 ' ' THR . . . . . . . . . . . . . 1.6 m -72.78 153.96 40.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 74.329999999999998 110.376 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1010 ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 928' ' ' HIS . 9.3 m-85 -128.11 165.99 26.97 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 75.530000000000001 111.023 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1011 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 74.030000000000001 110.975 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1012 ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -145.27 106.47 4.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.049999999999997 109.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1013 ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 921' ' ' HIS . 0.0 OUTLIER -121.5 122.84 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.239999999999995 109.345 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1014 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.34 163.97 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1015 ' ' TYR . . . . . 0.639 ' CZ ' ' CD2' ' A' ' 979' ' ' LEU . 20.4 m-30 -84.68 -39.99 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.329999999999998 111.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 1.7 t -39.45 -30.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 73.409999999999997 109.998 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1017 ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' 1015 ' ' TYR . 9.5 mm-40 -45.89 -50.36 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 64.200000000000003 110.315 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1018 ' ' CYS . . . . . . . . . . . . . 82.0 m -103.56 120.95 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 54.130000000000003 108.243 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1019 ' ' CYS . . . . . 0.614 ' C ' HD23 ' A' 1020 ' ' LEU . 5.6 p -123.59 62.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 75.25 108.294 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' 1020 ' ' LEU . 0.7 OUTLIER -101.2 -48.15 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 62.329999999999998 109.31 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1021 ' ' PHE . . . . . 0.457 ' CZ ' HD23 ' A' ' 977' ' ' LEU . 6.2 m-85 -75.17 -0.36 19.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 111.024 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1022 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.56 46.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 61.420000000000002 110.007 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1023 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.0 16.49 9.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 74.530000000000001 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1024 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.0 -179.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 54.130000000000003 110.291 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1025 ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.420000000000002 109.32 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1026 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_